data_2em2_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 2em2 _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 . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.455 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 22' ' ' PHE . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.802 0.251 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.875 0.281 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.447 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CG ' HD12 ' A' ' 34' ' ' ILE . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.831 0.263 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.79 0.246 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 35' ' ' HIS . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CG ' HD11 ' A' ' 34' ' ' ILE . 84.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.801 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 75.0 t60 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.828 0.262 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' A' ' 22' ' ' PHE . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 34' ' ' ILE . 81.8 t60 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 31' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.879 0.283 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' OE1' ' CG2' ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' OE1' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE1' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.834 0.264 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 34' ' ' ILE . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.799 0.25 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CE1' HD12 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' ARG . 65.9 t60 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.79 0.246 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.402 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.867 0.278 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.1 t60 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.767 0.236 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.508 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.247 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' ILE . 51.8 t60 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 30' ' ' SER . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.823 0.26 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 35' ' ' HIS . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.799 0.25 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.812 0.255 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 85.4 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -106.66 -43.87 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -64.37 154.89 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.72 -129.29 6.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -145.43 138.73 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.79 -49.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.2 96.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -100.13 -55.75 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 154.33 8.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -121.92 82.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -133.57 141.7 41.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -29.25 23.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' HB3' ' CG ' ' A' ' 11' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.455 ' CE1' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.518 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD11 ' CE1' ' A' ' 22' ' ' PHE . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -75.9 -36.21 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 t -47.35 144.62 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.81 97.23 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.91 80.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -143.76 141.95 19.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -24.8 29.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -154.37 127.7 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.91 -163.64 39.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.71 12.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 45' ' ' SER . 14.6 t -89.86 133.83 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' SER . 57.3 p -34.76 -43.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.476 -179.991 . . . . . . . . 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 1.452 -0.279 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -113.18 131.53 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -119.77 100.77 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.09 -153.16 25.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.52 42.58 27.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -76.95 127.22 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 39.93 45.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.4 t -102.39 -60.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.8 178.18 48.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 4.3 tp10 -114.24 148.91 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 28.6 mtpt -129.12 75.76 79.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.48 36.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 -70.05 -34.65 73.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' HIS . 5.1 t -35.8 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' HIS . . . -38.44 -91.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -132.34 152.82 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -137.33 137.79 23.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -27.55 26.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -168.22 139.65 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.89 146.51 4.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 163.71 37.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -166.3 159.83 15.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -72.65 134.15 44.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.964 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -156.38 113.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -141.03 142.44 34.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -64.06 2.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 67.76 43.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 170.11 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 -152.98 24.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -148.55 146.09 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.06 48.09 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -130.14 19.86 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 21' ' ' ALA . 9.7 mptt -106.88 143.73 27.66 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.68 26.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.462 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' O ' ' CG1' ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 ' CG1' ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' CG ' HD12 ' A' ' 34' ' ' ILE . 91.8 m-70 -107.7 -26.72 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 73.1 p -52.79 144.16 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 -156.71 9.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.26 13.93 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.13 147.7 36.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.45 2.32 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -57.87 103.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 179.23 45.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.1 25.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 m -73.4 126.29 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -132.1 102.0 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.978 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -158.63 107.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -139.95 176.43 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.57 -61.7 5.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -64.87 154.91 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -115.55 43.72 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -141.21 20.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -42.34 137.14 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.64 102.45 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -156.22 105.88 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 9.9 mmtp -134.88 80.58 48.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.587 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.74 -14.23 35.84 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.587 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 11' ' ' LYS . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CE1' HD12 ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.449 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 -79.69 -32.54 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.2 t -101.9 40.78 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.87 113.72 2.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.537 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.98 156.15 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 150.58 43.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -46.71 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -154.19 163.85 39.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.76 169.53 18.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.31 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -118.33 118.87 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -91.06 -58.51 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.559 179.983 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -75.67 -60.49 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.85 -49.21 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.36 166.89 9.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -112.28 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -117.53 176.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.67 99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -156.17 159.21 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.5 123.64 2.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 11' ' ' LYS . 7.4 mp0 -65.44 -54.26 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -30.83 94.67 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -11.77 31.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 HD11 ' CG ' ' A' ' 35' ' ' HIS . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' CG ' HD11 ' A' ' 34' ' ' ILE . 84.3 m-70 -81.27 -32.94 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -117.86 44.36 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.52 -79.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 164.98 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 144.89 16.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.1 30.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -58.73 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.99 171.8 18.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.14 59.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -173.31 123.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.4 m -90.96 171.38 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.494 -179.994 . . . . . . . . 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 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -53.67 163.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -86.03 145.6 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.66 41.0 2.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -111.43 84.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -131.6 136.54 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.29 -92.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -108.22 78.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.41 39.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 5.2 tt0 -116.93 49.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -92.91 143.01 26.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.12 27.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 75.0 t60 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 -95.14 -30.26 14.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -128.77 71.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.43 -36.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.58 51.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 134.08 19.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.692 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.22 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -108.5 -61.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.08 -95.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.82 4.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -93.22 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.5 m -116.55 41.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.58 41.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -146.55 117.65 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.58 97.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -122.52 81.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -113.85 87.31 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 -110.14 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.4 p -173.79 171.37 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 116.32 0.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.5 54.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -118.5 90.64 39.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -20.27 35.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' A' ' 22' ' ' PHE . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 34' ' ' ILE . 81.8 t60 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.533 HD13 ' CE1' ' A' ' 31' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 -80.25 -34.86 36.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -93.72 -10.04 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.23 111.32 0.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -113.11 136.47 52.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.79 137.31 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.95 131.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.76 171.97 45.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 126.48 13.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.1 p -150.96 110.47 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -161.39 162.62 30.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.451 -0.343 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -119.74 135.7 54.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -132.72 42.11 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.01 -43.42 4.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t 40.97 41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -68.29 -54.21 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.14 -47.21 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -86.93 164.57 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.7 63.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.87 -43.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -50.09 137.88 20.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.58 44.11 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.02 31.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -102.37 9.02 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -103.94 147.06 33.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -23.17 31.3 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -171.4 164.35 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.09 -161.48 14.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.57 35.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 p -41.26 123.62 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -87.67 171.13 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.989 . . . . . . . . 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 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -77.99 153.1 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -147.57 173.13 13.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.68 173.81 15.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -140.36 113.29 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -106.2 157.56 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.12 -118.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -129.15 -45.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.364 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 143.38 12.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -100.96 84.46 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.92 142.53 17.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' OE1' ' CG2' ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' OE1' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 -67.69 -28.85 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.1 t -112.49 57.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -130.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 6.4 tp10 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -107.07 73.99 0.37 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.78 -15.34 36.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 39.9 p -35.95 132.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.61 85.3 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.32 11.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -154.22 106.27 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 t -87.03 -56.66 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.492 -179.992 . . . . . . . . 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 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -102.87 135.2 44.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -161.01 132.38 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 -84.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -94.01 135.3 35.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -121.74 134.27 54.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.94 -102.08 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -51.87 167.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 49.15 0.37 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.66 -55.6 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.79 148.22 20.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CE1' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 -103.67 -24.07 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.4 45.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -84.74 -87.19 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.4 tp10 -38.11 124.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -61.1 143.76 91.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 143.56 51.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -63.02 147.23 51.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.9 135.33 2.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.97 11.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.387 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -89.62 50.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 t -96.71 90.72 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 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 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -142.74 118.69 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -96.81 137.12 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.61 143.93 16.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -120.06 42.39 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -101.08 133.38 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.43 167.38 12.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -72.62 -49.37 32.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.11 135.2 37.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.86 161.37 38.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 87.16 56.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.01 37.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' CE1' HD12 ' A' ' 34' ' ' ILE . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.572 HD12 ' CE1' ' A' ' 31' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 -83.83 19.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' ARG . 14.4 t -86.66 -38.83 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.24 -50.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.46 124.07 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 158.98 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 115.96 4.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.7 p -157.43 143.67 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.17 91.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.7 m -98.24 175.18 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 m 58.5 42.2 21.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.467 -179.987 . . . . . . . . 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 -0.307 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 p -110.01 89.49 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.95 -53.54 37.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -92.51 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -95.69 88.48 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -118.88 127.59 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.86 48.19 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 p -89.07 84.37 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.48 91.67 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 14.9 pt-20 -84.19 122.21 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 4.4 mptt -143.62 122.24 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.72 -20.89 34.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CE1' HD12 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' ARG . 65.9 t60 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 -89.26 -35.18 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 t -101.47 136.97 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.83 165.93 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 53.98 32.38 15.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 146.61 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' GLY . 42.6 p 55.01 25.0 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.33 83.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -119.87 -46.04 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p 45.38 46.6 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.516 -179.974 . . . . . . . . 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 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -124.38 -53.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 42.34 42.12 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -60.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -45.13 123.36 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 39.88 42.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.61 41.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 p -135.81 110.94 8.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.35 17.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -93.84 -60.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -125.41 134.33 25.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.72 19.85 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.324 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.402 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 -109.0 -28.36 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p -99.51 40.02 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.35 -26.54 8.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -96.55 12.3 32.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -86.31 132.61 42.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -13.94 35.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m -83.59 149.81 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.82 150.89 25.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.76 55.88 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -107.45 41.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 60.07 45.23 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.477 -179.997 . . . . . . . . 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 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -49.38 110.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -105.02 150.06 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 161.07 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -112.2 85.86 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -86.8 161.73 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.2 75.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 m -95.11 45.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.72 155.21 6.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 11.9 pt-20 -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 6.1 mptt -142.12 115.06 6.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.71 25.09 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.1 t60 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 -86.01 -31.65 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 36' ' ' THR . 8.8 t -102.31 78.43 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.05 -70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -112.19 95.63 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -76.34 139.07 67.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.04 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -74.08 143.43 45.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.98 -162.53 28.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.426 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -106.69 149.29 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.7 p -88.68 -45.64 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.961 . . . . . . . . 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 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -149.93 112.55 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -88.66 -52.5 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.44 48.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -122.18 41.02 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -92.5 -54.73 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.23 140.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -131.31 -56.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.11 87.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -43.29 141.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -142.62 107.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.96 19.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.508 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 -86.6 -36.52 18.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.463 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 9.5 t -96.53 43.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.23 114.07 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -144.77 139.62 27.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.47 142.91 38.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.83 37.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.47 146.12 9.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -172.55 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.5 t -121.49 -64.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -88.49 168.91 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.5 179.978 . . . . . . . . 0 0 . 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 -0.259 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -105.98 -52.42 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -77.08 147.77 36.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 57.38 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -112.34 85.93 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -134.04 100.06 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 102.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -111.34 100.81 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.76 108.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.0 119.46 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CG ' ' HB1' ' A' ' 21' ' ' ALA . 27.4 mmmt -61.92 149.56 85.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.03 15.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 34' ' ' ILE . 51.8 t60 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 30' ' ' SER . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 34' ' ' ILE . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.51 -36.62 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.8 t -99.09 35.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.51 163.48 2.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -114.47 178.07 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -46.14 111.2 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.692 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.2 28.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -73.26 -55.97 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.96 -98.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.65 43.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -53.75 138.88 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -82.78 45.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.488 -179.966 . . . . . . . . 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 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.54 126.82 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -90.57 -24.37 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.26 -127.32 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -134.74 108.98 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -82.76 48.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.46 138.74 3.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 t -84.01 117.26 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.99 120.38 4.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.93 140.17 35.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -61.41 119.28 45.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.48 6.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.506 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -77.15 -34.89 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.2 t -103.95 124.43 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.5 -51.21 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.31 144.45 49.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -157.4 133.02 5.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.697 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -13.37 34.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.7 p -92.78 -27.64 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.27 -72.51 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.291 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 71.8 p -33.86 -46.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 p -94.91 104.43 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.502 -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 1.451 -0.358 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.64 42.42 11.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -130.58 175.67 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -75.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -141.55 142.31 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -84.3 -44.37 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.87 96.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -125.65 -51.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.16 140.43 47.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -129.57 81.36 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -106.18 135.42 19.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -40.45 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.413 HD11 ' NE2' ' A' ' 35' ' ' HIS . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 -100.75 -27.55 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.33 107.98 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 172.04 -43.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.1 tt0 -35.61 152.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -36.62 143.31 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.69 63.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -119.84 -49.24 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.34 135.68 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.0 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -89.62 98.55 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -78.41 -57.33 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 179.998 . . . . . . . . 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 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -129.4 109.46 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -70.45 97.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.87 145.4 18.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -56.3 103.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -121.71 134.69 54.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.98 -134.93 12.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -167.37 125.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.18 68.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.45 45.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 38.3 mttm -109.22 124.19 34.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 11' ' ' LYS . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.411 HD11 ' NE2' ' A' ' 35' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' NE2' HD11 ' A' ' 34' ' ' ILE . 95.2 m-70 -109.12 -34.87 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -53.16 157.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 -118.88 1.63 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -84.48 161.54 20.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.78 153.28 27.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.36 8.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -135.14 115.04 12.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.48 -95.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.4 t -53.89 152.05 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' SER . 87.5 p 36.03 42.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.497 -179.999 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -104.51 -176.18 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m 45.8 47.63 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 63.85 4.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -97.64 107.59 20.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -43.02 145.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 67.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -96.01 79.42 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.26 127.41 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 11' ' ' LYS . 18.8 mm-40 -98.54 25.37 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' A' ' 10' ' ' GLU . 25.2 mttm -32.62 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.77 -29.39 23.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.467 ' N ' ' HB3' ' A' ' 11' ' ' LYS . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' CB ' ' HG3' ' A' ' 17' ' ' GLU . 85.4 m-70 -99.86 -25.82 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.21 83.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -148.64 129.44 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -135.03 136.22 24.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.531 0.682 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 130.53 19.45 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -66.88 157.57 32.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.17 -94.75 0.26 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -101.26 -54.9 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -55.56 160.35 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 26' ' ' ILE . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 24' ' ' GLN . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.409 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' C ' ' A' ' 30' ' ' SER . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 71.5 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.802 0.251 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 15' ' ' CYS . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.875 0.281 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 28' ' ' LEU . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' HD23 ' A' ' 32' ' ' LEU . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 27' ' ' HIS . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 26' ' ' ILE . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' SG ' ' A' ' 15' ' ' CYS . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CE1' HD11 ' A' ' 34' ' ' ILE . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.831 0.263 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.79 0.246 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.673 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB3' HG22 ' A' ' 26' ' ' ILE . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 24' ' ' GLN . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.801 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.731 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' HIS . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 35.5 t-80 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.828 0.262 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 33' ' ' ARG . 38.3 t-80 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB3' ' A' ' 35' ' ' HIS . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 30' ' ' SER . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.6 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.879 0.283 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.726 ' CD ' HG22 ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.726 HG22 ' CD ' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 27' ' ' HIS . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 26' ' ' ILE . 59.6 m80 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 34' ' ' ILE . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.834 0.264 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.799 0.25 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.407 ' C ' ' N ' ' A' ' 33' ' ' ARG . 21.2 t-80 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.79 0.246 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.509 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.867 0.278 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 27' ' ' HIS . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 26' ' ' ILE . 22.3 m80 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 22' ' ' PHE . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 17.5 t-80 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' SG ' ' A' ' 15' ' ' CYS . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.767 0.236 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.247 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' HD23 ' A' ' 32' ' ' LEU . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' GLN . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 22' ' ' PHE . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.0 t-80 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' SG ' ' A' ' 15' ' ' CYS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 30' ' ' SER . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.823 0.26 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.799 0.25 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.812 0.255 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 32' ' ' LEU . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 27' ' ' HIS . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 26' ' ' ILE . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 13' ' ' PHE . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' SG ' ' A' ' 15' ' ' CYS . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 34' ' ' ILE . 85.4 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -106.66 -43.87 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -64.37 154.89 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.72 -129.29 6.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -145.43 138.73 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.79 -49.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.2 96.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -100.13 -55.75 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 154.33 8.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -121.92 82.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -133.57 141.7 41.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -29.25 23.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 26' ' ' ILE . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 24' ' ' GLN . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.409 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.762 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.2 m-70 -75.9 -36.21 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 33' ' ' ARG . 2.4 t -47.35 144.62 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.81 97.23 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.91 80.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -143.76 141.95 19.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -24.8 29.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -154.37 127.7 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.91 -163.64 39.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.71 12.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 45' ' ' SER . 14.6 t -89.86 133.83 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' SER . 57.3 p -34.76 -43.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.476 -179.991 . . . . . . . . 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 1.452 -0.279 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -113.18 131.53 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -119.77 100.77 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.09 -153.16 25.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.52 42.58 27.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -76.95 127.22 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 39.93 45.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.4 t -102.39 -60.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.8 178.18 48.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.24 148.91 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -129.12 75.76 79.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.48 36.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 15' ' ' CYS . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 -70.05 -34.65 73.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' HIS . 5.1 t -35.8 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' HIS . . . -38.44 -91.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -132.34 152.82 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -137.33 137.79 23.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -27.55 26.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -168.22 139.65 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.89 146.51 4.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 163.71 37.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -166.3 159.83 15.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -72.65 134.15 44.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.964 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -156.38 113.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -141.03 142.44 34.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -64.06 2.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 67.76 43.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 170.11 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 -152.98 24.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -148.55 146.09 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.06 48.09 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -130.14 19.86 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.992 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mptt -106.88 143.73 27.66 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.68 26.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 28' ' ' LEU . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' HD23 ' A' ' 32' ' ' LEU . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.992 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 27' ' ' HIS . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 26' ' ' ILE . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' SG ' ' A' ' 15' ' ' CYS . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HA ' HG23 ' A' ' 36' ' ' THR . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CE1' HD11 ' A' ' 34' ' ' ILE . 91.8 m-70 -107.7 -26.72 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 33' ' ' ARG . 73.1 p -52.79 144.16 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 -156.71 9.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.26 13.93 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.13 147.7 36.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.45 2.32 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -57.87 103.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 179.23 45.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.1 25.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 m -73.4 126.29 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -132.1 102.0 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.978 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -158.63 107.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -139.95 176.43 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.57 -61.7 5.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -64.87 154.91 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -115.55 43.72 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -141.21 20.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -42.34 137.14 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.64 102.45 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -156.22 105.88 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 9.9 mmtp -134.88 80.58 48.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.74 -14.23 35.84 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' A' ' 11' ' ' LYS . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 -79.69 -32.54 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 36' ' ' THR . 14.2 t -101.9 40.78 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.87 113.72 2.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.537 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.98 156.15 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 150.58 43.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -46.71 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -154.19 163.85 39.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.76 169.53 18.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.31 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -118.33 118.87 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -91.06 -58.51 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.559 179.983 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -75.67 -60.49 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.85 -49.21 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.36 166.89 9.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -112.28 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -117.53 176.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.67 99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -156.17 159.21 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.5 123.64 2.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 11' ' ' LYS . 7.4 mp0 -65.44 -54.26 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -30.83 94.67 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -11.77 31.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.673 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB3' HG22 ' A' ' 26' ' ' ILE . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 24' ' ' GLN . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -81.27 -32.94 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -117.86 44.36 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.52 -79.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 164.98 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 144.89 16.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.1 30.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -58.73 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.99 171.8 18.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.14 59.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -173.31 123.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.4 m -90.96 171.38 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.494 -179.994 . . . . . . . . 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 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -53.67 163.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -86.03 145.6 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.66 41.0 2.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -111.43 84.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -131.6 136.54 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.29 -92.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -108.22 78.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.41 39.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 5.2 tt0 -116.93 49.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.91 143.01 26.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.12 27.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.731 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' HIS . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 75.0 t60 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 36' ' ' THR . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 -95.14 -30.26 14.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.7 t -128.77 71.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.43 -36.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.58 51.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 134.08 19.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.692 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.22 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -108.5 -61.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.08 -95.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.82 4.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -93.22 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.5 m -116.55 41.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.58 41.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -146.55 117.65 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.58 97.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -122.52 81.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -113.85 87.31 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 -110.14 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.4 p -173.79 171.37 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 116.32 0.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.5 54.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 mppt? -118.5 90.64 39.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.74 -20.27 35.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 33' ' ' ARG . 81.8 t60 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 -80.25 -34.86 36.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -93.72 -10.04 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.23 111.32 0.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -113.11 136.47 52.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.79 137.31 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.95 131.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.76 171.97 45.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 126.48 13.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.1 p -150.96 110.47 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -161.39 162.62 30.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.451 -0.343 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -119.74 135.7 54.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -132.72 42.11 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.01 -43.42 4.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t 40.97 41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -68.29 -54.21 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.14 -47.21 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -86.93 164.57 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.7 63.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.87 -43.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 9.0 mptt -50.09 137.88 20.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB3' ' A' ' 35' ' ' HIS . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 30' ' ' SER . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.6 m-70 -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.58 44.11 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.02 31.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -102.37 9.02 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -103.94 147.06 33.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -23.17 31.3 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -171.4 164.35 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.09 -161.48 14.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.57 35.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 p -41.26 123.62 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -87.67 171.13 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.989 . . . . . . . . 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 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -77.99 153.1 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -147.57 173.13 13.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.68 173.81 15.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -140.36 113.29 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -106.2 157.56 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.12 -118.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -129.15 -45.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.364 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 143.38 12.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -100.96 84.46 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -145.92 142.53 17.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.726 ' CD ' HG22 ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.726 HG22 ' CD ' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 -67.69 -28.85 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 36' ' ' THR . 8.1 t -112.49 57.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -130.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 6.4 tp10 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -107.07 73.99 0.37 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.78 -15.34 36.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 39.9 p -35.95 132.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.61 85.3 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.32 11.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -154.22 106.27 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 t -87.03 -56.66 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.492 -179.992 . . . . . . . . 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 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -102.87 135.2 44.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -161.01 132.38 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 -84.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -94.01 135.3 35.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -121.74 134.27 54.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.94 -102.08 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -51.87 167.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 49.15 0.37 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.66 -55.6 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 33.5 mmtm -53.79 148.22 20.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 27' ' ' HIS . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 26' ' ' ILE . 59.6 m80 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 34' ' ' ILE . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 -103.67 -24.07 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.4 45.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -84.74 -87.19 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.4 tp10 -38.11 124.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -61.1 143.76 91.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 143.56 51.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -63.02 147.23 51.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.9 135.33 2.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.97 11.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.387 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -89.62 50.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 t -96.71 90.72 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 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 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -142.74 118.69 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -96.81 137.12 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.61 143.93 16.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -120.06 42.39 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -101.08 133.38 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.43 167.38 12.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -72.62 -49.37 32.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.11 135.2 37.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.86 161.37 38.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 87.16 56.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.01 37.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 -83.83 19.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' ARG . 14.4 t -86.66 -38.83 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.24 -50.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.46 124.07 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 158.98 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 115.96 4.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.7 p -157.43 143.67 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.17 91.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.7 m -98.24 175.18 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 m 58.5 42.2 21.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.467 -179.987 . . . . . . . . 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 -0.307 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 p -110.01 89.49 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.95 -53.54 37.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -92.51 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -95.69 88.48 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -118.88 127.59 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.86 48.19 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 p -89.07 84.37 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.48 91.67 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 14.9 pt-20 -84.19 122.21 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 4.4 mptt -143.62 122.24 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.72 -20.89 34.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CE1' HD11 ' A' ' 34' ' ' ILE . 65.9 t60 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 -89.26 -35.18 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 t -101.47 136.97 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.83 165.93 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 53.98 32.38 15.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 146.61 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' GLY . 42.6 p 55.01 25.0 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.33 83.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -119.87 -46.04 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p 45.38 46.6 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.516 -179.974 . . . . . . . . 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 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -124.38 -53.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 42.34 42.12 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -60.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -45.13 123.36 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 39.88 42.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.61 41.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 p -135.81 110.94 8.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.35 17.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -93.84 -60.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.677 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 35.9 mmtt -125.41 134.33 25.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.72 19.85 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.324 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.509 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 -109.0 -28.36 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p -99.51 40.02 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.35 -26.54 8.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -96.55 12.3 32.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -86.31 132.61 42.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -13.94 35.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m -83.59 149.81 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.82 150.89 25.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.76 55.88 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -107.45 41.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 60.07 45.23 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.477 -179.997 . . . . . . . . 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 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -49.38 110.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -105.02 150.06 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 161.07 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -112.2 85.86 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -86.8 161.73 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.2 75.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 m -95.11 45.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.72 155.21 6.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 11.9 pt-20 -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 6.1 mptt -142.12 115.06 6.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.71 25.09 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 27' ' ' HIS . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 26' ' ' ILE . 22.3 m80 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 22' ' ' PHE . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.1 t60 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' SG ' ' A' ' 15' ' ' CYS . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' THR . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 -86.01 -31.65 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' THR . 8.8 t -102.31 78.43 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.05 -70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -112.19 95.63 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -76.34 139.07 67.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.04 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -74.08 143.43 45.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.98 -162.53 28.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.426 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -106.69 149.29 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.7 p -88.68 -45.64 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.961 . . . . . . . . 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 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -149.93 112.55 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -88.66 -52.5 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.44 48.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -122.18 41.02 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -92.5 -54.73 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.23 140.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -131.31 -56.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.11 87.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -43.29 141.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -142.62 107.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.96 19.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 36' ' ' THR . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 -86.6 -36.52 18.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 33' ' ' ARG . 9.5 t -96.53 43.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.23 114.07 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -144.77 139.62 27.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.47 142.91 38.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.83 37.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.47 146.12 9.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -172.55 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.5 t -121.49 -64.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -88.49 168.91 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.5 179.978 . . . . . . . . 0 0 . 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 -0.259 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -105.98 -52.42 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -77.08 147.77 36.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 57.38 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -112.34 85.93 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -134.04 100.06 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 102.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -111.34 100.81 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.76 108.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.0 119.46 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 27.4 mmmt -61.92 149.56 85.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.03 15.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' HD23 ' A' ' 32' ' ' LEU . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' GLN . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 22' ' ' PHE . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.8 t60 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' SG ' ' A' ' 15' ' ' CYS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' HG22 ' A' ' 36' ' ' THR . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.51 -36.62 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 33' ' ' ARG . 13.8 t -99.09 35.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.51 163.48 2.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -114.47 178.07 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -46.14 111.2 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.692 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.2 28.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -73.26 -55.97 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.96 -98.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.65 43.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -53.75 138.88 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -82.78 45.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.488 -179.966 . . . . . . . . 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 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.54 126.82 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -90.57 -24.37 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.26 -127.32 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -134.74 108.98 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -82.76 48.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.46 138.74 3.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 t -84.01 117.26 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.99 120.38 4.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.93 140.17 35.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mtmp? -61.41 119.28 45.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.48 6.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -77.15 -34.89 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 36' ' ' THR . 11.2 t -103.95 124.43 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.5 -51.21 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.31 144.45 49.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -157.4 133.02 5.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.697 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -13.37 34.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.7 p -92.78 -27.64 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.27 -72.51 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.291 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 71.8 p -33.86 -46.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 p -94.91 104.43 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.502 -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 1.451 -0.358 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.64 42.42 11.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -130.58 175.67 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -75.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -141.55 142.31 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -84.3 -44.37 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.87 96.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -125.65 -51.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.16 140.43 47.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -129.57 81.36 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -106.18 135.42 19.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -40.45 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 -100.75 -27.55 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.33 107.98 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 172.04 -43.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.1 tt0 -35.61 152.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -36.62 143.31 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.69 63.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -119.84 -49.24 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.34 135.68 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.0 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -89.62 98.55 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -78.41 -57.33 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 179.998 . . . . . . . . 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 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -129.4 109.46 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -70.45 97.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.87 145.4 18.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -56.3 103.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -121.71 134.69 54.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.98 -134.93 12.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -167.37 125.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.18 68.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.45 45.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 38.3 mttm -109.22 124.19 34.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' HD2' ' A' ' 11' ' ' LYS . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 36' ' ' THR . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -109.12 -34.87 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' LEU . 82.8 p -53.16 157.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 -118.88 1.63 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -84.48 161.54 20.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.78 153.28 27.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.36 8.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -135.14 115.04 12.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.48 -95.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.4 t -53.89 152.05 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' SER . 87.5 p 36.03 42.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.497 -179.999 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -104.51 -176.18 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m 45.8 47.63 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 63.85 4.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -97.64 107.59 20.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -43.02 145.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 67.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -96.01 79.42 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.26 127.41 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 11' ' ' LYS . 18.8 mm-40 -98.54 25.37 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mttm -32.62 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.77 -29.39 23.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 32' ' ' LEU . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 11' ' ' LYS . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' N ' ' HB3' ' A' ' 11' ' ' LYS . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 27' ' ' HIS . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 26' ' ' ILE . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 13' ' ' PHE . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' SG ' ' A' ' 15' ' ' CYS . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 34' ' ' ILE . 85.4 m-70 -99.86 -25.82 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.21 83.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -148.64 129.44 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -135.03 136.22 24.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.531 0.682 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 130.53 19.45 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -66.88 157.57 32.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.17 -94.75 0.26 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -101.26 -54.9 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -55.56 160.35 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.156 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 26' ' ' ILE . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 24' ' ' GLN . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HD2' HG23 ' A' ' 26' ' ' ILE . 7.6 m-70 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.409 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 ' HG3' ' C ' ' A' ' 30' ' ' SER . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.802 0.251 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 15' ' ' CYS . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.875 0.281 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 28' ' ' LEU . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' HD23 ' A' ' 32' ' ' LEU . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' N ' ' HD3' ' A' ' 20' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 27' ' ' HIS . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 26' ' ' ILE . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' SG ' ' A' ' 15' ' ' CYS . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CE1' HD11 ' A' ' 34' ' ' ILE . 91.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.831 0.263 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.79 0.246 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.673 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB3' HG22 ' A' ' 26' ' ' ILE . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 24' ' ' GLN . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.673 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.801 0.25 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.731 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' HIS . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 75.0 t60 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.828 0.262 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 33' ' ' ARG . 81.8 t60 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.848 0.27 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB3' ' A' ' 35' ' ' HIS . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 30' ' ' SER . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.6 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.879 0.283 . . . . 0.0 112.358 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.726 ' CD ' HG22 ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.726 HG22 ' CD ' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.835 0.265 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' C ' ' CG ' ' A' ' 22' ' ' PHE . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 27' ' ' HIS . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 26' ' ' ILE . 42.1 m-70 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 34' ' ' ILE . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.834 0.264 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.799 0.25 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CE1' HD11 ' A' ' 34' ' ' ILE . 65.9 t60 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.205 0 CA-C-O 120.79 0.246 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.509 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.509 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.867 0.278 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 27' ' ' HIS . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 26' ' ' ILE . 13.0 m-70 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 22' ' ' PHE . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.1 t60 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' SG ' ' A' ' 15' ' ' CYS . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 31' ' ' HIS . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.19 0 CA-C-O 120.767 0.236 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.247 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' HD23 ' A' ' 32' ' ' LEU . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' GLN . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 22' ' ' PHE . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.8 t60 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' SG ' ' A' ' 15' ' ' CYS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.468 ' CG ' ' O ' ' A' ' 30' ' ' SER . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.823 0.26 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' CD2' ' A' ' 27' ' ' HIS . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.534 ' CD2' HG23 ' A' ' 26' ' ' ILE . 26.7 m170 -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 27' ' ' HIS . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HD2' HG23 ' A' ' 26' ' ' ILE . 7.6 m-70 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.799 0.25 . . . . 0.0 112.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.202 0 CA-C-O 120.812 0.255 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 32' ' ' LEU . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 27' ' ' HIS . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 26' ' ' ILE . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 13' ' ' PHE . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' SG ' ' A' ' 15' ' ' CYS . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 34' ' ' ILE . 85.4 m-70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -106.66 -43.87 4.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 m -64.37 154.89 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.72 -129.29 6.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -145.43 138.73 26.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -129.79 -49.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.2 96.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.7 t -100.13 -55.75 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.0 154.33 8.77 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -121.92 82.06 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -133.57 141.7 41.19 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.577 0.703 . . . . 0.0 110.917 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -29.25 23.99 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.282 . . . . 0.0 112.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 90.2 m-85 -112.66 127.4 56.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -134.83 145.48 48.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.43 128.28 33.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -90.34 23.83 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 58.8 mm-40 -123.2 -48.89 1.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 p -112.91 -50.13 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.45 18.16 1.85 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -71.35 148.0 47.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -110.36 152.21 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -142.18 176.32 9.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mtt180 -113.13 -34.82 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.53 ' HB3' HG22 ' A' ' 26' ' ' ILE . 25.6 mp0 -114.84 146.47 41.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 21.9 p-10 -59.36 -27.19 65.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 24' ' ' GLN . 12.1 tt -70.67 -34.37 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HD2' HG23 ' A' ' 26' ' ' ILE . 7.6 m-70 -65.68 -42.08 91.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.62 -50.97 47.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.18 76.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.409 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 46.8 t -73.67 -18.02 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.842 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -88.29 -50.97 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.3 mt -46.65 -22.04 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.762 ' O ' HG22 ' A' ' 36' ' ' THR . 6.0 mtp180 -66.05 -39.07 89.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.49 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.7 pp -53.04 -25.35 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 85.2 m-70 -75.9 -36.21 59.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.833 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 33' ' ' ARG . 2.4 t -47.35 144.62 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.81 97.23 1.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -111.91 80.06 1.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -143.76 141.95 19.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -24.8 29.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.9 p -154.37 127.7 8.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.91 -163.64 39.35 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.71 12.53 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.366 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 45' ' ' SER . 14.6 t -89.86 133.83 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' SER . 57.3 p -34.76 -43.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.19 -0.783 . . . . 0.0 112.476 -179.991 . . . . . . . . 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 1.452 -0.279 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -113.18 131.53 55.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -119.77 100.77 7.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.09 -153.16 25.08 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.52 42.58 27.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -76.95 127.22 32.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 39.93 45.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 39.4 t -102.39 -60.11 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.8 178.18 48.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.24 148.91 36.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -129.12 75.76 79.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.48 36.95 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -91.76 114.54 27.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 20.3 ttpt -124.37 153.57 41.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.2 t -87.3 123.8 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -85.61 24.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 59.1 mm-40 -121.9 -46.74 2.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.0 p -121.2 -42.85 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.17 -9.68 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.21 134.4 14.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.52 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 0.7 OUTLIER -151.28 173.35 14.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -107.64 -30.71 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -119.4 141.41 49.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -54.76 -29.89 55.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -65.86 -39.56 85.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -61.35 -49.53 76.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 8.5 tp -61.04 -53.3 58.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.97 71.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -67.37 -23.27 65.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -85.2 -49.7 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD23 ' SG ' ' A' ' 15' ' ' CYS . 69.6 mt -43.86 -25.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -65.92 -44.53 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -48.41 -25.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 53.7 m-70 -70.05 -34.65 73.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' HIS . 5.1 t -35.8 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' HIS . . . -38.44 -91.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -132.34 152.82 51.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.371 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -137.33 137.79 23.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -27.55 26.3 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.26 . . . . 0.0 112.386 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -168.22 139.65 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.89 146.51 4.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 163.71 37.26 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.713 2.275 . . . . 0.0 112.306 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 m -166.3 159.83 15.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -72.65 134.15 44.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.477 -179.964 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 m -156.38 113.68 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -141.03 142.44 34.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.91 -64.06 2.54 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 67.76 43.23 1.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -65.36 170.11 5.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.45 -152.98 24.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -148.55 146.09 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.386 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.06 48.09 0.97 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -130.14 19.86 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.992 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 9.7 mptt -106.88 143.73 27.66 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.68 26.0 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.797 ' HB3' HD22 ' A' ' 28' ' ' LEU . 74.5 m-85 -102.69 125.26 49.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.34 120.92 22.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' HD23 ' A' ' 32' ' ' LEU . 10.9 t -56.86 125.41 22.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -87.78 25.3 1.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -123.58 -45.57 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.3 p -116.3 -46.94 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.95 26.88 1.81 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 21' ' ' ALA . 5.7 tmtm? -82.38 147.78 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.992 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -106.66 144.63 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.092 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.3 m-85 -134.69 137.57 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -68.98 -36.9 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -122.33 159.63 27.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 7.5 p-10 -64.72 -44.06 91.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 27' ' ' HIS . 15.0 tt -46.36 -48.52 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.191 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' N ' HG23 ' A' ' 26' ' ' ILE . 16.3 m170 -58.63 -52.5 65.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -55.3 -53.14 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.01 -35.41 71.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -76.79 -15.09 59.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.74 ' O ' HG23 ' A' ' 34' ' ' ILE . 28.5 t60 -94.75 -41.95 8.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' SG ' ' A' ' 15' ' ' CYS . 83.8 mt -47.97 -40.25 21.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.538 ' HA ' HG23 ' A' ' 36' ' ' THR . 9.7 ptm180 -53.99 -30.63 48.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.2 pp -61.27 -12.77 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CE1' HD11 ' A' ' 34' ' ' ILE . 91.8 m-70 -107.7 -26.72 10.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' ' 33' ' ' ARG . 73.1 p -52.79 144.16 14.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.89 -156.71 9.02 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.479 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -82.26 13.93 3.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.913 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.13 147.7 36.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 109.45 2.32 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.671 2.248 . . . . 0.0 112.33 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 t -57.87 103.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.16 179.23 45.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -9.1 25.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.74 2.293 . . . . 0.0 112.322 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 m -73.4 126.29 29.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.1 m -132.1 102.0 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.455 -179.978 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 m -158.63 107.13 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -139.95 176.43 8.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.57 -61.7 5.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 p -64.87 154.91 35.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.383 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -115.55 43.72 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.39 -141.21 20.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 m -42.34 137.14 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.905 0.383 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.64 102.45 2.6 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -156.22 105.88 2.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.901 0.381 . . . . 0.0 110.916 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 9.9 mmtp -134.88 80.58 48.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.922 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.74 -14.23 35.84 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.633 2.222 . . . . 0.0 112.371 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.6 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.8 m-30 -91.64 102.87 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -122.83 122.02 37.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.8 t -50.92 129.69 23.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -84.16 25.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE1' ' CB ' ' A' ' 35' ' ' HIS . 42.2 mt-10 -127.85 -44.97 1.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.5 p -117.53 -44.7 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.48 17.9 5.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 tptt -69.56 133.44 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' CB ' ' A' ' 11' ' ' LYS . . . -93.76 146.16 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 21.3 m-85 -132.32 166.08 22.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -101.69 -29.06 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -125.15 148.54 48.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -60.88 -32.61 72.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tp -67.6 -30.47 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -68.54 -51.18 45.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 9.6 tp -56.7 -55.12 38.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.7 -37.39 68.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' C ' ' N ' ' A' ' 33' ' ' ARG . 39.5 t60 -80.73 -47.34 14.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.8 mt -45.71 -20.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.6 mmp_? -53.34 -54.81 31.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 35' ' ' HIS . 6.4 pt -55.7 -25.51 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.459 ' N ' HG13 ' A' ' 34' ' ' ILE . 56.1 m-70 -79.69 -32.54 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' THR . 14.2 t -101.9 40.78 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -120.87 113.72 2.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.537 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.98 156.15 18.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 150.58 43.64 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.621 0.724 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -46.71 1.11 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -154.19 163.85 39.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.76 169.53 18.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.31 16.83 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.687 2.258 . . . . 0.0 112.329 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 m -118.33 118.87 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.2 m -91.06 -58.51 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.179 -0.79 . . . . 0.0 112.559 179.983 . . . . . . . . 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 1.452 -0.289 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 t -75.67 -60.49 2.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.927 0.394 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.85 -49.21 68.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.36 166.89 9.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -112.28 174.44 5.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -117.53 176.94 4.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.67 99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 p -156.17 159.21 38.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.952 0.406 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.5 123.64 2.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 11' ' ' LYS . 7.4 mp0 -65.44 -54.26 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -30.83 94.67 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 110.914 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.573 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.74 -11.77 31.55 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CE1' ' HG2' ' A' ' 12' ' ' PRO . 1.5 m-30 -83.31 111.55 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -132.46 121.5 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -59.7 121.41 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -87.06 19.93 2.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -114.63 -45.39 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -112.25 -42.09 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.09 18.4 4.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -82.61 168.61 17.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.746 0.308 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.91 165.02 18.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.673 ' CE1' HD13 ' A' ' 28' ' ' LEU . 1.4 m-85 -152.32 136.22 16.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -84.08 -25.67 29.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.415 ' HB3' HG22 ' A' ' 26' ' ' ILE . 16.4 mp0 -119.02 148.94 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -63.99 -37.5 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' A' ' 24' ' ' GLN . 6.4 tp -63.11 -27.42 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -69.61 -55.95 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.673 HD13 ' CE1' ' A' ' 22' ' ' PHE . 26.9 tp -55.78 -57.4 12.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.16 -38.47 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.6 t -72.16 -19.83 61.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' ARG . 60.0 t60 -89.01 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 31' ' ' HIS . 63.5 mt -36.46 -32.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.5 mtm180 -55.0 -49.02 72.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.5 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.5 pp -46.08 -29.54 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -81.27 -32.94 33.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 t -117.86 44.36 2.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -50.52 -79.49 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.16 164.98 14.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.05 144.89 16.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.1 30.14 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.326 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.7 t -58.73 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.99 171.8 18.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 146.14 59.63 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -173.31 123.44 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.4 m -90.96 171.38 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.494 -179.994 . . . . . . . . 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 -0.359 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -53.67 163.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -86.03 145.6 27.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.66 41.0 2.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 t -111.43 84.73 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -131.6 136.54 47.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.29 -92.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -108.22 78.19 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.41 39.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' C ' ' HE2' ' A' ' 11' ' ' LYS . 5.2 tt0 -116.93 49.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.958 0.408 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.841 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.91 143.01 26.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.12 27.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.334 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 97.9 m-85 -107.81 123.35 48.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 1.4 ttpm? -130.01 143.97 51.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 34.0 t -76.85 132.57 39.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -91.88 20.34 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 43.7 mm-40 -118.8 -46.35 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -120.04 -48.31 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.84 12.8 2.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.493 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.588 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 tmtt? -65.6 131.09 45.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.841 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -94.78 152.63 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.731 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -140.3 150.15 43.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -87.77 -32.31 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -116.82 153.44 32.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -63.11 -37.16 86.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 27' ' ' HIS . 7.9 tp -61.75 -40.88 88.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' N ' HG23 ' A' ' 26' ' ' ILE . 3.4 m-70 -57.79 -45.94 85.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 22' ' ' PHE . 18.0 tp -66.04 -53.43 38.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.62 -41.34 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 m -69.42 -24.2 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.418 ' C ' ' N ' ' A' ' 33' ' ' ARG . 75.0 t60 -78.83 -49.24 13.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' O ' HG22 ' A' ' 36' ' ' THR . 77.9 mt -44.23 -22.14 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 1.7 mmp_? -52.19 -55.07 23.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.1 pt -55.09 -19.13 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 81.8 m-70 -95.14 -30.26 14.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.7 t -128.77 71.14 1.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.43 -36.07 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -76.58 51.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.958 0.409 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.8 ptmm? -105.98 134.08 19.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.554 0.692 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 93.22 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.697 2.264 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m -108.5 -61.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 129.08 -95.14 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 178.82 4.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.298 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.2 m -93.22 42.42 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 46' ' ' GLY . 14.5 m -116.55 41.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 m -84.58 41.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.2 m -146.55 117.65 7.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.58 97.76 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -122.52 81.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.811 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.4 p -113.85 87.31 2.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.34 -110.14 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 86.4 p -173.79 171.37 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 116.32 0.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -95.5 54.42 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 12' ' ' PRO . 3.0 mppt? -118.5 90.64 39.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.588 0.709 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 11' ' ' LYS . 53.7 Cg_endo -69.74 -20.27 35.16 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -100.69 128.19 46.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -133.05 139.22 47.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.42 122.97 22.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -84.71 21.02 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 61.6 mm-40 -118.77 -49.27 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -113.65 -42.72 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.42 19.25 3.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 18.7 tptt -66.61 157.42 32.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.3 137.58 53.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -131.7 169.27 16.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -101.13 -39.37 7.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -118.92 163.64 16.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -69.24 -34.1 74.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tt -55.81 -35.8 41.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -68.83 -49.16 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.82 -54.46 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.5 -33.08 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.408 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 2.1 m -79.01 -15.13 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 33' ' ' ARG . 81.8 t60 -94.32 -52.36 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.9 mt -44.3 -21.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' N ' ' C ' ' A' ' 31' ' ' HIS . 9.2 mtm180 -58.24 -51.39 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 35' ' ' HIS . 4.5 pt -58.61 -21.39 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 26.3 m-70 -80.25 -34.86 36.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 t -93.72 -10.04 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.23 111.32 0.48 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.4 tt0 -113.11 136.47 52.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.945 0.403 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.79 137.31 8.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.568 0.699 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.36 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -173.95 131.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.76 171.97 45.05 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 126.48 13.34 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.1 p -150.96 110.47 4.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.7 t -161.39 162.62 30.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.997 . . . . . . . . 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 1.451 -0.343 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -119.74 135.7 54.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -132.72 42.11 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.01 -43.42 4.42 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 t 40.97 41.93 1.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.884 0.373 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -68.29 -54.21 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.14 -47.21 0.99 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.0 p -86.93 164.57 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.7 63.73 0.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -129.87 -43.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.945 0.402 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 9.0 mptt -50.09 137.88 20.09 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -42.74 3.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 25' ' ' ASN . 58.3 m-85 -93.13 132.38 37.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -140.72 136.21 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -83.97 108.57 17.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -66.65 -13.34 61.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' HB3' ' A' ' 35' ' ' HIS . 11.2 mt-10 -79.18 -64.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.2 p -96.39 -44.96 6.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.89 21.72 4.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -74.29 153.16 39.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -116.68 144.21 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 0.6 OUTLIER -133.38 -179.04 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -121.83 -27.34 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -120.37 146.45 46.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 63.6 t-20 -59.69 -31.7 69.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -67.65 -27.87 39.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -71.25 -47.32 57.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.8 tp -67.04 -47.55 71.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.06 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 33' ' ' ARG . 5.4 t -76.8 -16.42 59.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.1 t60 -90.83 -52.28 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.43 -26.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.412 ' HG3' ' C ' ' A' ' 30' ' ' SER . 8.7 mtt-85 -56.22 -40.8 74.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.6 pp -66.47 -12.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CE1' HD11 ' A' ' 34' ' ' ILE . 83.6 m-70 -101.85 -26.91 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.58 44.11 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -171.02 31.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -102.37 9.02 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -103.94 147.06 33.7 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -23.17 31.3 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.707 2.271 . . . . 0.0 112.361 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -171.4 164.35 7.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -165.09 -161.48 14.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 137.57 35.62 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 p -41.26 123.62 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -87.67 171.13 10.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.989 . . . . . . . . 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 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -77.99 153.1 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -147.57 173.13 13.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.68 173.81 15.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -140.36 113.29 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -106.2 157.56 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.12 -118.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.535 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -129.15 -45.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.364 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 143.38 12.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -100.96 84.46 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -145.92 142.53 17.93 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.709 . . . . 0.0 110.91 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -44.62 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -81.83 130.19 34.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -134.03 137.57 44.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.81 134.62 35.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -97.27 14.31 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 53.2 mm-40 -108.21 -48.16 3.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.4 p -121.2 -44.03 2.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 130.68 11.11 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 4.9 tppt? -56.28 162.33 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.763 0.316 . . . . 0.0 110.917 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -132.64 152.25 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -155.96 165.07 37.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -103.44 -39.09 6.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.726 ' CD ' HG22 ' A' ' 26' ' ' ILE . 1.1 tt0 -94.54 161.13 14.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -73.65 -41.83 62.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.726 HG22 ' CD ' ' A' ' 24' ' ' GLN . 16.0 tt -61.21 -34.29 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -61.84 -51.53 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.49 -57.22 10.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.05 -30.94 60.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.2 t -74.91 -26.84 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -75.77 -47.47 25.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 36' ' ' THR . 49.8 mt -50.55 -17.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -57.13 -53.94 52.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.613 HD12 ' C ' ' A' ' 34' ' ' ILE . 1.3 pp -55.7 -34.16 35.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 49.4 m-70 -67.69 -28.85 68.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 36' ' ' THR . 8.1 t -112.49 57.08 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.168 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.59 -130.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 6.4 tp10 -98.24 10.94 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -107.07 73.99 0.37 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.542 0.687 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' SER . 54.1 Cg_endo -69.78 -15.34 36.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 39.9 p -35.95 132.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.61 85.3 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -3.32 11.78 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.1 p -154.22 106.27 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.5 t -87.03 -56.66 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.492 -179.992 . . . . . . . . 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 1.451 -0.3 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -102.87 135.2 44.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -161.01 132.38 5.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 -84.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -94.01 135.3 35.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -121.74 134.27 54.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.94 -102.08 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -51.87 167.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.382 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.11 49.15 0.37 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.66 -55.6 2.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 33.5 mmtm -53.79 148.22 20.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -48.22 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -86.29 125.6 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -136.35 128.82 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.75 125.39 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -90.88 22.93 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -120.34 -41.51 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.2 p -117.39 -46.6 2.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.33 23.04 2.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -83.07 163.89 20.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -119.16 166.76 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.54 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -154.48 170.28 21.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt-85 -103.76 -38.8 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -129.53 161.95 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -55.86 -43.54 77.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' N ' ' A' ' 27' ' ' HIS . 3.1 tp -46.57 -47.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 26' ' ' ILE . 42.1 m-70 -58.82 -61.01 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 22' ' ' PHE . 34.2 tp -50.58 -53.58 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -28.42 66.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 7.6 t -81.65 -16.58 50.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' HG13 ' A' ' 34' ' ' ILE . 62.5 t60 -95.94 -41.74 8.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.2 mt -49.75 -32.1 12.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' SER . 15.6 ptm180 -55.38 -31.25 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.61 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -71.23 -12.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HD11 ' A' ' 34' ' ' ILE . 87.6 m-70 -103.67 -24.07 13.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.4 45.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . -84.74 -87.19 0.9 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.4 tp10 -38.11 124.63 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.7 mmtt -61.1 143.76 91.86 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 143.56 51.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.373 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.3 t -63.02 147.23 51.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.9 135.33 2.81 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.506 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.97 11.66 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.387 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.1 m -89.62 50.93 1.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.1 t -96.71 90.72 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.494 -179.991 . . . . . . . . 0 0 . 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 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 m -142.74 118.69 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 m -96.81 137.12 36.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.61 143.93 16.49 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -120.06 42.39 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.88 0.372 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m -101.08 133.38 45.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.43 167.38 12.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -72.62 -49.37 32.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.11 135.2 37.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.518 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.86 161.37 38.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 87.16 56.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.582 0.706 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.01 37.38 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -110.91 131.26 55.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -140.01 143.36 36.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.0 t -75.77 125.32 28.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -86.62 15.28 5.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 56.3 mm-40 -112.65 -47.19 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -114.58 -47.16 2.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.55 22.56 2.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -74.14 138.4 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.839 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.89 34.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.094 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -130.09 -177.21 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -120.7 -31.46 4.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -118.58 148.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -58.61 -31.05 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.474 HG23 ' N ' ' A' ' 27' ' ' HIS . 16.7 tt -65.38 -42.35 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 26' ' ' ILE . 4.3 m-70 -56.55 -48.35 77.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.08 -52.51 58.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -19.6 63.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.529 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 16.5 t -93.84 -13.73 26.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' ARG . 27.6 t60 -95.7 -52.7 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.6 mt -37.86 -27.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.529 ' CD ' ' O ' ' A' ' 30' ' ' SER . 15.6 ptp180 -52.93 -48.18 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 35' ' ' HIS . 13.8 pt -46.07 -26.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 92.5 m-70 -83.83 19.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 33' ' ' ARG . 14.4 t -86.66 -38.83 16.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.24 -50.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -65.46 124.07 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.946 0.403 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.56 158.98 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 115.96 4.33 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 2.239 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.7 p -157.43 143.67 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -149.17 91.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -173.1 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.7 m -98.24 175.18 6.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.5 m 58.5 42.2 21.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.467 -179.987 . . . . . . . . 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 -0.307 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.9 p -110.01 89.49 3.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -65.95 -53.54 37.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.87 -92.51 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -95.69 88.48 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -118.88 127.59 53.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.86 48.19 3.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 p -89.07 84.37 6.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.917 0.389 . . . . 0.0 110.827 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.48 91.67 1.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 14.9 pt-20 -84.19 122.21 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 4.4 mptt -143.62 122.24 7.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.567 0.699 . . . . 0.0 110.899 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.72 -20.89 34.45 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.37 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 90.3 m-85 -101.38 129.08 47.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -135.48 146.24 47.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.19 128.18 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -80.76 -9.56 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 25.4 mm-40 -83.58 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -102.74 -44.04 5.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.26 7.0 5.57 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 36.3 tttm -51.45 164.01 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.933 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.17 149.29 43.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' A' ' 28' ' ' LEU . 2.4 m-85 -143.71 158.65 43.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -95.56 -36.5 11.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -111.91 149.08 32.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.02 -29.6 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -68.14 -33.84 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' A' ' 22' ' ' PHE . 14.9 tp -60.75 -52.47 64.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.05 -39.01 71.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.068 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.5 t -70.53 -23.54 62.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.435 ' CE1' HD11 ' A' ' 34' ' ' ILE . 65.9 t60 -80.46 -47.0 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.2 mt -45.95 -20.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' N ' ' C ' ' A' ' 31' ' ' HIS . 11.1 mmt180 -54.24 -54.42 40.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.3 pt -57.91 -19.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.429 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 42.1 m-70 -89.26 -35.18 16.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.9 t -101.47 136.97 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.83 165.93 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 53.98 32.38 15.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.932 0.396 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.41 146.61 31.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.557 0.694 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -168.18 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.695 2.264 . . . . 0.0 112.359 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' GLY . 42.6 p 55.01 25.0 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 41' ' ' SER . . . 34.33 83.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.1 t -119.87 -46.04 2.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.5 p 45.38 46.6 10.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.516 -179.974 . . . . . . . . 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 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 t -124.38 -53.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m 42.34 42.12 2.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.2 -60.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.529 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.5 p -45.13 123.36 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 39.88 42.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.61 41.94 1.5 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.532 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.5 p -135.81 110.94 8.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.873 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.52 119.35 17.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.525 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.5 mp0 -93.84 -60.45 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.677 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 35.9 mmtt -125.41 134.33 25.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -31.72 19.85 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.677 2.252 . . . . 0.0 112.324 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -104.56 123.27 47.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -141.06 150.12 42.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.7 t -82.64 132.85 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -84.01 -8.34 59.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -86.27 -65.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 p -98.07 -49.72 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.68 5.44 4.48 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.66 136.11 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.817 0.342 . . . . 0.0 110.889 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -97.98 156.17 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.044 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 1.8 m-85 -146.13 156.48 43.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -96.03 -33.63 12.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -115.45 161.51 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -71.85 -39.83 69.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.6 tt -62.53 -20.1 24.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -79.39 -45.73 18.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 22' ' ' PHE . 12.0 tp -65.66 -50.88 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.85 69.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.5 t -73.1 -24.24 60.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 24.2 t60 -81.47 -53.76 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.1 mt -39.37 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 31' ' ' HIS . 26.7 mmm-85 -49.95 -54.33 20.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.509 HD11 ' NE2' ' A' ' 35' ' ' HIS . 18.3 pt -48.37 -18.16 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.509 ' NE2' HD11 ' A' ' 34' ' ' ILE . 87.8 m-70 -109.0 -28.36 9.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p -99.51 40.02 1.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.35 -26.54 8.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -96.55 12.3 32.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.907 0.384 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 tptt -86.31 132.61 42.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -13.94 35.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.9 m -83.59 149.81 26.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.82 150.89 25.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 158.76 55.88 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.707 2.272 . . . . 0.0 112.372 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.7 m -107.45 41.83 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 m 60.07 45.23 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.477 -179.997 . . . . . . . . 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 -0.342 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -49.38 110.66 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 m -105.02 150.06 25.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.72 161.07 34.86 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 t -112.2 85.86 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 110.843 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.0 m -86.8 161.73 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 55.2 75.62 0.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.459 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 55.5 m -95.11 45.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.72 155.21 6.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.456 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 11.9 pt-20 -97.18 150.6 20.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' ' C ' ' A' ' 22' ' ' PHE . 6.1 mptt -142.12 115.06 6.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -28.71 25.09 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 25' ' ' ASN . 97.7 m-85 -88.5 132.04 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 6.5 ttpp -140.05 126.96 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.539 ' SG ' HD23 ' A' ' 32' ' ' LEU . 8.7 t -53.31 129.54 32.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -92.14 24.27 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 8.8 mm-40 -126.03 -48.45 1.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -108.72 -41.98 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.417 ' HA2' ' NZ ' ' A' ' 14' ' ' LYS . . . 120.67 12.7 5.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 11.1 tttp -62.4 178.22 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 151.22 43.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE1' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -83.81 -33.26 24.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -110.97 149.41 30.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 9.9 p-10 -64.44 -36.77 85.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.498 HG23 ' N ' ' A' ' 27' ' ' HIS . 11.6 tt -58.36 -44.61 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.498 ' N ' HG23 ' A' ' 26' ' ' ILE . 13.0 m-70 -55.17 -50.97 67.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.576 HD13 ' CE1' ' A' ' 22' ' ' PHE . 27.2 tp -58.64 -52.81 64.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.02 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.493 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 1.4 t -83.93 -17.98 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' O ' ' N ' ' A' ' 33' ' ' ARG . 54.1 t60 -95.15 -57.69 2.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.539 HD23 ' SG ' ' A' ' 15' ' ' CYS . 16.2 mt -35.75 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' THR . 15.5 ptm180 -47.96 -48.59 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 HG13 ' N ' ' A' ' 35' ' ' HIS . 5.7 pt -47.59 -24.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' N ' HG13 ' A' ' 34' ' ' ILE . 91.4 m-70 -86.01 -31.65 21.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' THR . 8.8 t -102.31 78.43 1.75 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.05 -70.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -112.19 95.63 5.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -76.34 139.07 67.77 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -170.04 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.7 p -74.08 143.43 45.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 147.98 -162.53 28.77 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.426 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.4 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -106.69 149.29 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.7 p -88.68 -45.64 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.515 -179.961 . . . . . . . . 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 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -149.93 112.55 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 4' ' ' GLY . 13.4 t -88.66 -52.5 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.44 48.74 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -122.18 41.02 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 m -92.5 -54.73 3.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.23 140.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -131.31 -56.08 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.902 0.382 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.11 87.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -43.29 141.92 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.1 mttp -142.62 107.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.59 0.71 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -31.96 19.39 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -81.65 117.37 21.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -131.94 117.88 19.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.9 t -54.67 117.67 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -84.51 25.45 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.548 ' OE1' ' CG ' ' A' ' 35' ' ' HIS . 20.6 mt-10 -123.15 -43.26 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.5 p -115.9 -46.18 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.95 18.49 2.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -75.87 153.09 37.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 150.05 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -142.4 152.72 43.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 34.9 mtm180 -85.6 -36.64 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.4 mm-40 -121.15 167.27 12.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -71.64 -44.5 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.8 tt -47.29 -34.65 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.177 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -68.32 -52.92 28.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.4 tp -53.73 -55.42 26.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -24.44 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 18.8 t -85.37 -16.83 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 33' ' ' ARG . 45.9 t60 -95.22 -55.57 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 31' ' ' HIS . 32.1 mt -35.46 -30.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.6 ' HA ' HG22 ' A' ' 36' ' ' THR . 15.1 ptm180 -47.63 -49.0 28.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG13 ' CD2' ' A' ' 35' ' ' HIS . 5.9 pt -47.2 -25.22 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 70.8 m-70 -86.6 -36.52 18.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 33' ' ' ARG . 9.5 t -96.53 43.76 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.23 114.07 2.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -144.77 139.62 27.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.948 0.404 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.47 142.91 38.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -15.83 37.23 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.23 133.65 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.47 146.12 9.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -172.55 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.5 t -121.49 -64.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.5 p -88.49 168.91 12.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.5 179.978 . . . . . . . . 0 0 . 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 -0.259 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 m -105.98 -52.42 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -77.08 147.77 36.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.96 57.38 0.34 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -112.34 85.93 2.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.362 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 m -134.04 100.06 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.94 102.34 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.7 p -111.34 100.81 9.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.76 108.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.0 119.46 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 27.4 mmmt -61.92 149.56 85.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -34.03 15.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 25' ' ' ASN . 97.8 m-85 -101.84 117.34 34.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -119.28 143.04 47.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' HD23 ' A' ' 32' ' ' LEU . 27.9 t -79.97 126.13 30.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -89.95 24.09 2.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -121.6 -48.61 2.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.9 p -122.07 -45.28 2.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.42 -15.05 3.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.441 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -41.63 144.13 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' C ' ' CD1' ' A' ' 22' ' ' PHE . . . -107.6 171.09 7.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -160.35 165.01 32.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.56 -39.54 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.413 ' HB3' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -107.45 160.94 15.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 4.8 t-20 -72.86 -35.74 67.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.413 HG22 ' HB3' ' A' ' 24' ' ' GLN . 13.1 tt -61.23 -34.86 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.95 -51.49 61.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD13 ' CE1' ' A' ' 22' ' ' PHE . 35.9 tp -59.06 -57.12 14.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -33.21 62.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 35.3 t -75.27 -21.01 58.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.659 ' O ' HG23 ' A' ' 34' ' ' ILE . 51.8 t60 -91.19 -55.6 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' SG ' ' A' ' 15' ' ' CYS . 54.3 mt -37.72 -41.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.605 ' HA ' HG22 ' A' ' 36' ' ' THR . 12.8 ptp180 -50.84 -45.48 59.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.1 pp -46.23 -24.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -84.51 -36.62 22.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 33' ' ' ARG . 13.8 t -99.09 35.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -53.51 163.48 2.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -114.47 178.07 4.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.912 0.387 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -46.14 111.2 1.37 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.552 0.692 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.2 28.39 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.4 t -73.26 -55.97 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.96 -98.03 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 140.65 43.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -53.75 138.88 34.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.7 p -82.78 45.11 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.488 -179.966 . . . . . . . . 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 -0.346 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -158.54 126.82 5.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.8 p -90.57 -24.37 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.26 -127.32 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t -134.74 108.98 8.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.876 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -82.76 48.7 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.46 138.74 3.78 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.3 t -84.01 117.26 23.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.392 . . . . 0.0 110.851 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.99 120.38 4.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -80.93 140.17 35.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mtmp? -61.41 119.28 45.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.48 6.48 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 25' ' ' ASN . 58.7 m-85 -79.11 124.31 28.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -141.09 114.99 9.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.2 t -47.12 134.38 10.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -94.88 25.36 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -125.32 -45.34 1.83 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.9 p -112.74 -47.13 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.31 18.09 3.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HD2' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tmtm? -79.59 129.08 34.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -93.97 151.54 19.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HD2' ' A' ' 20' ' ' LYS . 4.2 m-85 -135.29 160.25 38.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -86.12 -43.5 13.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -118.12 148.39 42.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 10.9 p-10 -56.74 -36.82 70.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.534 HG23 ' CD2' ' A' ' 27' ' ' HIS . 4.1 tt -52.49 -35.41 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.534 ' CD2' HG23 ' A' ' 26' ' ' ILE . 26.7 m170 -69.06 -53.08 22.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -51.31 -53.83 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.58 68.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -79.44 -14.34 58.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.701 ' O ' HG23 ' A' ' 34' ' ' ILE . 33.8 t60 -94.1 -50.27 5.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -44.48 -41.42 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.949 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -50.31 -36.96 34.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.701 HG23 ' O ' ' A' ' 31' ' ' HIS . 1.3 pp -55.31 -27.29 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -77.15 -34.89 56.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 36' ' ' THR . 11.2 t -103.95 124.43 48.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -126.5 -51.21 0.17 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -123.31 144.45 49.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.902 0.382 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -157.4 133.02 5.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.565 0.697 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -13.37 34.63 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.7 p -92.78 -27.64 17.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -48.27 -72.51 0.44 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.1 Cg_endo -69.79 3.4 2.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.724 2.283 . . . . 0.0 112.291 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' PRO . 71.8 p -33.86 -46.59 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.6 p -94.91 104.43 16.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.502 -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 1.451 -0.358 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m 61.64 42.42 11.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -130.58 175.67 8.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 -75.67 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -141.55 142.31 33.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.875 0.369 . . . . 0.0 110.832 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -84.3 -44.37 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.87 96.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -125.65 -51.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.897 0.38 . . . . 0.0 110.865 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.16 140.43 47.87 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -129.57 81.36 2.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -106.18 135.42 19.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.712 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -40.45 5.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.376 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' CE1' ' OD1' ' A' ' 25' ' ' ASN . 61.0 m-85 -93.46 128.72 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -140.83 126.55 19.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.94 130.52 47.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -92.17 -0.39 57.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 35' ' ' HIS . 20.3 mt-10 -91.62 -44.95 8.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -120.56 -38.15 2.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.41 3.99 7.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.472 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -49.39 163.86 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.66 151.36 51.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -150.3 163.83 37.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -112.97 -1.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -135.39 168.95 18.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' OD1' ' CE1' ' A' ' 13' ' ' PHE . 61.1 m-80 -83.37 -37.37 23.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 27' ' ' HIS . 7.6 tt -64.73 -32.67 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' HD2' HG23 ' A' ' 26' ' ' ILE . 7.6 m-70 -63.63 -55.27 24.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -56.33 -53.32 58.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.38 -35.72 70.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.8 t -76.84 -15.61 59.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.403 ' CD2' ' HZ ' ' A' ' 22' ' ' PHE . 57.8 t60 -91.11 -51.76 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -42.66 -29.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -53.03 -42.84 66.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -63.84 -12.12 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' CB ' ' OE2' ' A' ' 17' ' ' GLU . 85.3 m-70 -100.75 -27.55 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.33 107.98 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 172.04 -43.45 0.18 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 37' ' ' GLY . 4.1 tt0 -35.61 152.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -36.62 143.31 0.31 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.69 63.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.393 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.9 t -119.84 -49.24 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.814 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.34 135.68 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -50.0 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.6 p -89.62 98.55 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -78.41 -57.33 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.489 179.998 . . . . . . . . 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 -0.334 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -129.4 109.46 11.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.857 0.361 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -70.45 97.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.87 145.4 18.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.536 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -56.3 103.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -121.71 134.69 54.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.98 -134.93 12.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.4 t -167.37 125.19 1.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.18 68.17 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.45 45.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' A' ' 21' ' ' ALA . 38.3 mttm -109.22 124.19 34.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.33 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 79.3 m-85 -68.84 131.86 45.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -141.1 138.15 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -80.51 101.57 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -57.63 -12.14 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.24 -65.8 0.95 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -103.12 -42.75 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.37 -0.47 6.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.458 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.524 ' O ' ' CE1' ' A' ' 22' ' ' PHE . 6.2 tptm -58.47 126.98 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' HB3' ' HD2' ' A' ' 11' ' ' LYS . . . -95.49 165.87 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.524 ' CE1' ' O ' ' A' ' 20' ' ' LYS . 0.8 OUTLIER -150.72 167.52 27.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -97.23 -40.27 8.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -117.9 158.16 25.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -61.54 -44.94 96.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -47.33 -37.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.77 -55.97 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 22' ' ' PHE . 44.1 tp -53.39 -56.7 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.45 66.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.042 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.8 t -77.22 -14.22 59.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 33' ' ' ARG . 59.8 t60 -94.03 -53.45 3.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 36' ' ' THR . 54.0 mt -39.05 -25.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 31' ' ' HIS . 4.4 mtm180 -56.11 -46.63 79.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 31' ' ' HIS . 4.1 pt -56.15 -12.53 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -109.12 -34.87 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' LEU . 82.8 p -53.16 157.19 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.25 -118.88 1.63 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -84.48 161.54 20.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.78 153.28 27.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.569 0.7 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.36 8.06 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.312 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 t -135.14 115.04 12.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.48 -95.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 98.51 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.68 2.253 . . . . 0.0 112.381 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.4 t -53.89 152.05 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' SER . 87.5 p 36.03 42.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.497 -179.999 . . . . . . . . 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 1.45 -0.377 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 p -104.51 -176.18 3.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.82 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m 45.8 47.63 11.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.64 63.85 4.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -97.64 107.59 20.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -43.02 145.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.3 67.26 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.4 t -96.01 79.42 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.26 127.41 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 11' ' ' LYS . 18.8 mm-40 -98.54 25.37 6.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 25.2 mttm -32.62 96.04 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.77 -29.39 23.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.322 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 28' ' ' LEU . 55.4 m-85 -89.17 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 141.11 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' A' ' 32' ' ' LEU . 38.5 t -72.97 122.32 21.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -83.96 24.03 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' HG3' ' CB ' ' A' ' 35' ' ' HIS . 6.3 mm-40 -126.55 -47.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.1 p -124.51 -20.08 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 110.06 -21.89 24.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 19' ' ' GLY . 15.7 tptm -37.87 124.62 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.63 ' HB1' ' CB ' ' A' ' 11' ' ' LYS . . . -99.96 157.04 16.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.092 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' N ' ' HB3' ' A' ' 11' ' ' LYS . 2.8 m-85 -141.68 169.37 17.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -99.45 -32.52 11.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -112.89 144.11 43.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.67 -35.92 77.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 27' ' ' HIS . 12.6 tt -59.63 -40.93 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 26' ' ' ILE . 18.2 m170 -59.81 -52.06 67.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 13' ' ' PHE . 42.7 tp -54.97 -54.21 45.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.85 -19.66 60.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.6 m -88.53 -19.68 26.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -94.41 -46.51 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD23 ' SG ' ' A' ' 15' ' ' CYS . 40.6 mt -52.28 -28.97 20.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -56.88 -25.26 56.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.755 HD11 ' CE1' ' A' ' 35' ' ' HIS . 1.3 pp -78.07 -13.47 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.755 ' CE1' HD11 ' A' ' 34' ' ' ILE . 85.4 m-70 -99.86 -25.82 14.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.21 83.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 47.69 95.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -148.64 129.44 14.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -135.03 136.22 24.52 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.531 0.682 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 130.53 19.45 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t -66.88 157.57 32.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.17 -94.75 0.26 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 117.27 4.99 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.0 p -101.26 -54.9 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -55.56 160.35 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_