data_2das_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 2das _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 ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 22' ' ' THR . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.431 ' N ' HG21 ' A' ' 21' ' ' ILE . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 8.5 mm-40 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CG ' HD12 ' A' ' 52' ' ' LEU . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 52' ' ' LEU . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' CYS . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' THR . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.402 ' CB ' HD22 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 22' ' ' THR . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 21' ' ' ILE . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.517 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 22' ' ' THR . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.455 ' N ' HG23 ' A' ' 21' ' ' ILE . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 52' ' ' LEU . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 22' ' ' THR . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG21 ' A' ' 21' ' ' ILE . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 49' ' ' THR . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.509 HG21 ' CE2' ' A' ' 37' ' ' TYR . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 22' ' ' THR . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 21' ' ' ILE . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 36' ' ' ALA . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 35' ' ' THR . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 52' ' ' LEU . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 46' ' ' PHE . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.498 ' CE2' HG22 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.401 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.498 HG22 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 22' ' ' THR . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' ILE . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 36' ' ' ALA . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' N ' HG22 ' A' ' 35' ' ' THR . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.467 ' NE2' HD22 ' A' ' 45' ' ' LEU . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' N ' HD13 ' A' ' 52' ' ' LEU . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' NE2' ' A' ' 38' ' ' GLN . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 50' ' ' THR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 51' ' ' CYS . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' HD22 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 22' ' ' THR . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 21' ' ' ILE . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' CB ' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CZ ' HG21 ' A' ' 49' ' ' THR . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HD22 ' A' ' 45' ' ' LEU . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD22 ' NE2' ' A' ' 38' ' ' GLN . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' CB ' HD23 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.408 HG21 ' CZ ' ' A' ' 37' ' ' TYR . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 51' ' ' CYS . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 50' ' ' THR . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.709 0.29 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 38' ' ' GLN . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.441 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 38' ' ' GLN . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.758 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.43 ' CB ' HD23 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.735 0.303 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 22' ' ' THR . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 21' ' ' ILE . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' N ' HD13 ' A' ' 52' ' ' LEU . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.405 ' CB ' HD23 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.51 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD21 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 22' ' ' THR . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 21' ' ' ILE . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' A' ' 49' ' ' THR . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.557 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.461 ' N ' HD22 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 22' ' ' THR . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' N ' HG21 ' A' ' 21' ' ' ILE . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.682 ' HZ1' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 36' ' ' ALA . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 35' ' ' THR . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 49' ' ' THR . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.411 ' CB ' HD22 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 52' ' ' LEU . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 46' ' ' PHE . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.773 0.321 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.502 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 43' ' ' ALA . 15.1 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -169.73 173.43 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -145.68 172.96 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 172.56 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -102.75 -62.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 54.76 42.44 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.11 154.83 16.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -125.52 84.45 60.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.552 0.692 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -133.91 133.44 41.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.81 111.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -145.3 153.78 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -118.94 130.72 55.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -163.72 168.63 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.13 124.11 21.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -47.33 -50.75 21.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 148.08 26.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 156.6 62.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.42 -47.73 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -110.84 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG21 ' N ' ' A' ' 22' ' ' THR . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 ' N ' HG21 ' A' ' 21' ' ' ILE . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 8.5 mm-40 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CG ' HD12 ' A' ' 52' ' ' LEU . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' CD2' HD11 ' A' ' 52' ' ' LEU . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 51' ' ' CYS . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 50' ' ' THR . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 46' ' ' PHE . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t -38.84 110.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -83.54 -51.13 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.0 -158.59 22.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 80.3 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -132.81 84.94 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p 42.41 41.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -165.37 173.31 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -141.22 176.85 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.31 174.68 27.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -167.8 175.02 7.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -142.47 155.35 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -168.88 29.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.52 73.32 68.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -118.64 105.29 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.56 113.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -111.62 41.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -172.99 162.07 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -144.69 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.56 141.91 37.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.7 t -63.93 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.47 161.61 25.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 69.68 41.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.91 150.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 HD22 ' CB ' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.402 ' CB ' HD22 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -101.44 91.59 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -61.61 -53.26 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.72 -171.44 13.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.74 48.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -68.74 168.52 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -101.47 135.83 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.463 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.79 175.84 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.22 151.09 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 179.58 16.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.24 174.85 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -147.05 178.2 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 139.37 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.82 143.97 14.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 173.6 10.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.6 t -113.07 40.74 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.0 174.6 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' HG3' ' CD ' ' A' ' 13' ' ' GLN . 7.4 pt20 -128.45 -51.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' CD ' ' HG3' ' A' ' 12' ' ' GLN . 6.6 pm0 -172.9 144.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -170.27 128.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.63 -54.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -160.4 145.11 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 153.43 67.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 86.33 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 176.74 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 22' ' ' THR . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 21' ' ' ILE . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.517 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CD2' HD11 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 HD11 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m -41.54 163.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -117.39 174.13 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.23 -158.01 28.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 84.61 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 m -82.13 -50.53 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.7 t -78.42 139.07 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -166.02 154.85 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -167.27 172.98 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 59.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -56.95 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -162.9 145.45 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 83.5 0.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -127.33 93.48 40.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.6 m -46.9 128.99 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.95 125.93 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.64 147.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -144.91 158.6 43.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -152.94 140.29 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -100.78 103.09 14.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.5 p -112.01 103.36 11.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -131.98 158.67 74.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.4 14.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.34 -51.49 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -145.08 179.47 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 22' ' ' THR . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.455 ' N ' HG23 ' A' ' 21' ' ' ILE . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' HD13 ' A' ' 52' ' ' LEU . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -105.86 109.59 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t -131.42 -43.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.25 -175.91 47.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.55 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m -57.85 -46.12 85.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -111.97 98.24 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.505 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.66 127.79 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -167.02 164.17 15.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.29 158.47 9.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -142.53 133.36 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -142.28 116.62 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.22 -159.72 27.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.23 83.35 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.668 0.747 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.63 23.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -123.49 118.61 27.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.83 107.98 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -166.39 134.63 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -77.66 146.02 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -150.0 128.97 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.6 tp -130.64 40.92 3.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -101.89 41.06 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -174.92 152.16 1.49 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.908 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.91 23.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.85 84.41 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -159.36 172.28 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 22' ' ' THR . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' N ' HG21 ' A' ' 21' ' ' ILE . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 49' ' ' THR . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.554 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.509 HG21 ' CE2' ' A' ' 37' ' ' TYR . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t -38.25 -47.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -84.06 97.96 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -174.06 44.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.8 p -132.44 105.48 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -70.8 -53.44 15.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.517 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -123.89 97.1 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -169.22 172.76 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 -101.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 63.51 42.11 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -88.02 152.05 22.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 114.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -121.51 81.6 39.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.73 37.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.1 p -134.74 132.36 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.1 -58.63 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -43.72 159.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -126.38 119.53 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.14 -177.73 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.12 124.84 13.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 41.2 p -128.98 -43.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -56.03 157.96 7.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.22 63.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 144.45 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -168.08 179.83 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 22' ' ' THR . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 21' ' ' ILE . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 36' ' ' ALA . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' N ' HG23 ' A' ' 35' ' ' THR . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.466 ' CD2' HD13 ' A' ' 52' ' ' LEU . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 46' ' ' PHE . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -116.07 44.02 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -108.78 80.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.12 130.11 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.3 m -73.49 -57.72 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -118.66 128.07 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -136.11 130.76 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -160.77 160.95 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.31 109.82 2.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -121.33 147.24 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -95.85 133.78 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 39.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -131.86 69.48 80.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.08 39.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -116.89 -50.87 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.21 148.89 25.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -80.6 -47.67 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -168.5 124.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -164.52 110.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mp -138.81 142.57 38.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -108.27 -42.08 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -101.94 149.7 36.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.527 0.679 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -63.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -161.93 143.49 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.498 ' CE2' HG22 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.401 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.498 HG22 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t -98.77 78.59 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.5 p -119.91 42.14 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.67 68.47 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.69 8.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.36 153.63 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' GLY . 1.8 m -51.01 141.61 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -166.94 157.57 11.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 176.64 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 -160.72 9.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -166.81 174.12 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -167.94 171.18 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.02 153.03 17.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.72 147.17 26.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.9 p -122.88 150.1 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.45 166.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -166.88 148.72 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -124.94 142.95 51.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.44 42.02 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 104.23 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -99.37 -41.21 7.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -55.09 158.63 4.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.543 0.687 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 121.05 7.73 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.56 -44.41 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -96.33 -179.75 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 22' ' ' THR . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.438 ' N ' HG23 ' A' ' 21' ' ' ILE . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 36' ' ' ALA . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' N ' HG22 ' A' ' 35' ' ' THR . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' NE2' HD22 ' A' ' 45' ' ' LEU . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' N ' HD13 ' A' ' 52' ' ' LEU . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' NE2' ' A' ' 38' ' ' GLN . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.566 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 50' ' ' THR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 51' ' ' CYS . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' HD22 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -167.85 146.68 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.33 155.75 26.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.91 5.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -129.98 42.05 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -65.76 -44.94 84.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -164.39 139.38 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -161.86 169.58 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.65 33.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -172.26 141.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -154.99 160.95 41.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 126.23 0.89 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -149.46 137.13 11.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 114.34 3.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -144.87 112.64 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.08 171.59 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -133.38 157.33 45.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -153.78 123.99 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -145.64 167.06 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.42 128.06 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -125.6 111.84 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -144.64 152.73 53.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 113.88 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.315 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.3 -46.11 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -92.23 178.52 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 22' ' ' THR . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.451 ' N ' HG22 ' A' ' 21' ' ' ILE . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.474 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' CB ' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.408 ' CZ ' HG21 ' A' ' 49' ' ' THR . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' HD22 ' A' ' 45' ' ' LEU . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD22 ' NE2' ' A' ' 38' ' ' GLN . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' CB ' HD23 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.408 HG21 ' CZ ' ' A' ' 37' ' ' TYR . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p -134.71 116.85 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.1 p -125.42 144.03 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.48 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 100.12 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 0.0 112.308 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -79.62 163.72 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -89.98 146.86 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.89 166.76 23.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.59 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 151.7 8.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.63 170.59 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -158.91 157.54 31.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -172.38 32.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -145.91 143.91 20.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.98 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -113.5 81.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.81 129.62 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.75 133.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -103.99 147.05 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -130.23 42.0 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.01 -54.05 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.9 p -138.55 123.48 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 143.75 75.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.63 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -83.4 179.59 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 51' ' ' CYS . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 50' ' ' THR . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 22.2 t -72.38 91.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.3 t 36.33 47.3 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.82 122.44 6.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.76 -1.64 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' PRO . 55.5 p -37.66 126.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -68.77 166.66 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.476 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -166.34 131.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.94 163.85 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.74 161.03 29.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -161.76 146.09 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -126.08 165.51 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 -135.55 8.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -131.49 150.68 77.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.655 0.74 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -174.41 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -126.31 163.79 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.61 170.51 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -151.14 167.78 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 13' ' ' GLN . 2.3 pm0 -130.38 171.32 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.41 ' C ' HD23 ' A' ' 15' ' ' LEU . 25.7 mp0 -131.37 153.44 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 14' ' ' GLN . 4.1 mm? -117.71 163.87 15.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.5 m -49.56 98.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -69.49 135.6 88.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.555 0.693 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 103.63 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.07 -46.73 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -45.47 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' HG2' ' A' ' 38' ' ' GLN . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.441 ' CB ' HD22 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD11 ' C ' ' A' ' 38' ' ' GLN . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m -34.45 -50.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 t -97.3 81.67 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.38 157.62 23.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 114.62 3.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 t -121.6 155.76 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.4 p -157.13 172.03 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.51 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -171.46 142.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -111.6 174.97 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.04 140.34 6.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -171.57 120.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -153.33 157.36 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.91 148.82 4.91 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -167.9 142.64 2.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -173.83 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 p -122.31 139.98 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.97 117.08 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -112.81 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -150.73 108.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' THR . 3.3 mp -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' LEU . 92.9 m -34.1 120.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 141.07 31.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.23 66.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.78 -59.21 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -107.13 172.07 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.471 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.511 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t -114.79 94.38 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -168.59 116.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.05 66.51 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.59 2.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' SER . 50.9 p -102.27 82.29 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' SER . 94.2 p 36.43 42.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.52 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -105.77 169.05 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -118.61 -58.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.92 110.13 2.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -72.36 -46.26 56.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -39.3 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.9 163.33 27.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.62 161.35 57.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -127.53 149.19 50.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.06 109.32 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -159.34 124.42 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -141.25 133.23 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -170.47 124.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -103.11 -27.4 12.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 120.28 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.36 153.9 56.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.64 9.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.19 45.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -165.75 -175.68 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 24' ' ' ALA . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.43 ' CB ' HD23 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.522 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -40.63 126.24 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.6 p -133.45 111.83 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.89 88.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.6 m -111.41 97.85 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -137.12 110.4 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.465 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -167.45 169.23 12.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -171.51 169.69 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.11 -163.0 10.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -174.42 176.34 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -165.66 174.05 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -177.85 26.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.38 143.84 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 171.03 15.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 56.8 p -106.0 -55.35 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 70.23 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -69.87 90.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -142.06 160.17 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -115.06 92.95 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -149.18 157.85 43.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.444 ' N ' HD23 ' A' ' 15' ' ' LEU . 7.3 t -119.75 -39.33 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' N ' HG23 ' A' ' 16' ' ' THR . 10.6 ptmm? -147.15 143.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 40.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -49.69 162.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 22' ' ' THR . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 21' ' ' ILE . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.546 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' C ' HD13 ' A' ' 52' ' ' LEU . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' N ' HD13 ' A' ' 52' ' ' LEU . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.405 ' CB ' HD23 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.51 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD21 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -45.01 -59.48 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 t -59.75 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.88 140.4 2.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.84 48.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.3 m -118.41 94.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -92.98 130.66 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -140.99 177.4 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -120.41 -55.04 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.37 -169.5 24.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -150.59 171.1 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -109.95 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.13 -166.4 12.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.477 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 39.0 tt0 -165.79 140.81 3.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.8 168.93 20.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.2 p -136.15 157.17 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.99 156.39 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -118.87 111.58 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -118.8 160.07 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -109.86 94.42 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 mt -155.42 132.49 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -125.96 115.86 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.02 143.19 25.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 53.9 Cg_endo -69.72 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.58 52.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' CD ' ' HB2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -155.61 173.58 16.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 22' ' ' THR . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 21' ' ' ILE . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' A' ' 49' ' ' THR . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.551 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.557 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.461 ' N ' HD22 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -51.53 140.28 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 m -59.25 -50.27 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.07 -167.5 51.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 95.71 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.224 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.6 t -96.72 125.63 41.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 t -93.24 117.75 30.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -130.27 154.42 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 m -149.95 146.06 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 56.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -99.45 136.0 40.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -54.78 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.93 114.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -109.3 75.1 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.82 8.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 t -80.48 143.11 33.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 178.24 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.29 175.79 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -71.47 -30.9 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -111.13 163.77 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 pp -130.58 127.38 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t -152.55 138.05 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -97.07 151.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.521 0.677 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.1 9.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.368 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.34 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -145.47 177.63 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 22' ' ' THR . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' N ' HG21 ' A' ' 21' ' ' ILE . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.682 ' HZ1' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -60.22 133.13 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.4 p -120.75 42.31 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.01 146.33 4.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.38 13.28 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -53.58 151.98 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.8 t -109.53 -53.59 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -171.19 118.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -155.76 144.2 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.41 166.65 32.78 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 173.83 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -146.97 129.7 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.99 146.09 11.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.419 ' C ' ' H ' ' A' ' 10' ' ' THR . 30.0 tt0 -113.31 86.02 9.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' THR . 53.8 Cg_endo -69.72 8.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' PRO . 5.6 t -33.54 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.82 -61.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 64.36 43.14 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 13' ' ' GLN . 2.8 tp60 -163.49 169.42 18.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 63.21 49.96 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.45 165.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.7 p -48.14 -46.38 34.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -153.66 154.19 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 155.32 66.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.25 -49.14 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 178.77 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' CB ' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 36' ' ' ALA . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' HG22 ' A' ' 35' ' ' THR . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.455 ' CE2' HG21 ' A' ' 49' ' ' THR . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.541 ' CD2' HD13 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.411 ' CB ' HD22 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.541 HD13 ' CD2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t -44.99 -44.48 9.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 t -86.31 85.83 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.74 -70.68 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 162.19 43.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 m -74.65 141.32 44.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -107.92 99.23 8.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -166.83 111.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -152.65 162.87 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 117.22 1.9 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -141.4 112.47 7.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -138.65 171.29 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.56 55.39 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -115.04 81.11 7.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' C ' HG23 ' A' ' 10' ' ' THR . 54.1 Cg_endo -69.74 121.12 7.82 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 HG23 ' C ' ' A' ' 9' ' ' PRO . 81.4 p -149.04 124.02 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.33 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.34 102.97 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -161.85 161.86 29.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -142.44 153.65 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 15' ' ' LEU . 2.6 pt? -175.02 158.7 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' LYS . 15.0 t -50.96 142.67 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' THR . 5.8 ptpp? -34.82 150.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.1 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -139.03 151.1 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.555 ' CE2' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 52' ' ' LEU . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.555 HG23 ' CE2' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 46' ' ' PHE . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -116.46 81.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -121.83 -49.78 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.78 -158.11 1.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 84.76 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.9 p -175.05 125.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.7 p -136.61 140.77 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -171.0 164.94 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -147.33 172.65 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.57 165.3 33.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -172.17 168.21 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -156.28 168.45 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.26 159.96 8.27 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -146.72 129.22 7.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 173.34 11.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -120.16 162.77 18.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.27 145.3 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.92 165.19 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.93 138.73 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -133.04 160.58 36.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.24 108.48 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.0 p -130.93 111.98 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 150.32 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.86 15.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 74.46 40.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -168.38 144.97 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -43.71 -62.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.8 m -60.23 99.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -35.67 138.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 p -72.34 -55.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m -67.67 162.35 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -158.92 166.93 30.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -136.15 170.83 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -170.81 20.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -169.7 129.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 148.98 24.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.86 -154.5 24.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -129.45 149.62 73.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.5 14.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ALA . 73.7 p -137.48 125.42 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -34.31 137.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -173.3 150.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -137.1 136.56 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 141.6 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -99.86 -54.56 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -70.92 128.47 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -124.01 151.16 64.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 82.51 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 -47.68 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 -179.36 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.502 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 43' ' ' ALA . 15.1 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -55.5 127.91 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.9 t -79.52 47.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.24 167.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 p -90.04 148.73 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -159.09 164.06 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HA ' HG22 ' A' ' 22' ' ' THR . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 45' ' ' LEU . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 45' ' ' LEU . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 21' ' ' ILE . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 52' ' ' LEU . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 46' ' ' PHE . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 45' ' ' LEU . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 47' ' ' CYS . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 HG21 ' A' ' 21' ' ' ILE . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 30' ' ' LEU . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 29' ' ' PRO . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 47' ' ' CYS . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.637 ' HB2' HD23 ' A' ' 45' ' ' LEU . 9.4 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 38' ' ' GLN . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 47' ' ' CYS . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.728 HG21 HD12 ' A' ' 45' ' ' LEU . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 29' ' ' PRO . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.592 HH12 HD21 ' A' ' 52' ' ' LEU . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 HG21 ' A' ' 21' ' ' ILE . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD21 HH12 ' A' ' 39' ' ' ARG . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' OE1' ' A' ' 34' ' ' GLN . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' OE1' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 21' ' ' ILE . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 30' ' ' LEU . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.418 HG22 ' HB3' ' A' ' 48' ' ' SER . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HG2' HD11 ' A' ' 52' ' ' LEU . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CD2' HD12 ' A' ' 52' ' ' LEU . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 50' ' ' THR . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 48' ' ' SER . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD11 ' HG2' ' A' ' 39' ' ' ARG . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 47' ' ' CYS . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.709 0.29 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 52' ' ' LEU . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' SER . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 52' ' ' LEU . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 50' ' ' THR . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' OG ' ' A' ' 48' ' ' SER . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 46' ' ' PHE . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 30' ' ' LEU . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 29' ' ' PRO . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 47' ' ' CYS . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HB2' HD23 ' A' ' 45' ' ' LEU . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 52' ' ' LEU . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 38' ' ' GLN . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.578 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.758 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.603 ' CE2' HG23 ' A' ' 49' ' ' THR . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 52' ' ' LEU . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 ' CE2' ' A' ' 37' ' ' TYR . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' THR . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 46' ' ' PHE . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.735 0.303 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 29' ' ' PRO . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' THR . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 22' ' ' THR . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 47' ' ' CYS . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.744 ' HB3' HD13 ' A' ' 52' ' ' LEU . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' A' ' 36' ' ' ALA . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.685 ' HB2' HD23 ' A' ' 45' ' ' LEU . 9.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HG3' HD11 ' A' ' 52' ' ' LEU . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HZ2' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 38' ' ' GLN . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB3' HD21 ' A' ' 30' ' ' LEU . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' PRO . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 47' ' ' CYS . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CZ ' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 45' ' ' LEU . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 38' ' ' GLN . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 29' ' ' PRO . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' HD13 ' A' ' 52' ' ' LEU . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.683 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD11 ' HG2' ' A' ' 39' ' ' ARG . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.773 0.321 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 52' ' ' LEU . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -169.73 173.43 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -145.68 172.96 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 172.56 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -102.75 -62.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 54.76 42.44 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.11 154.83 16.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -125.52 84.45 60.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.552 0.692 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -133.91 133.44 41.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.81 111.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -145.3 153.78 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -118.94 130.72 55.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -163.72 168.63 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.13 124.11 21.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -47.33 -50.75 21.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 148.08 26.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 156.6 62.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.42 -47.73 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -110.84 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HA ' HG22 ' A' ' 22' ' ' THR . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t -38.84 110.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -83.54 -51.13 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.0 -158.59 22.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 80.3 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -132.81 84.94 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p 42.41 41.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -165.37 173.31 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -141.22 176.85 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.31 174.68 27.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -167.8 175.02 7.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -142.47 155.35 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -168.88 29.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.52 73.32 68.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -118.64 105.29 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.56 113.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -111.62 41.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -172.99 162.07 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -144.69 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.56 141.91 37.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 17' ' ' LYS . 1.7 t -63.93 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 16' ' ' THR . 2.9 mppt? -112.47 161.61 25.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 69.68 41.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.91 150.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 45' ' ' LEU . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 45' ' ' LEU . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 21' ' ' ILE . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 52' ' ' LEU . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 46' ' ' PHE . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -101.44 91.59 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -61.61 -53.26 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.72 -171.44 13.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.74 48.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -68.74 168.52 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -101.47 135.83 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.463 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.79 175.84 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.22 151.09 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 179.58 16.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.24 174.85 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -147.05 178.2 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 139.37 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.82 143.97 14.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 173.6 10.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' THR . 13.6 t -113.07 40.74 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.0 174.6 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 13' ' ' GLN . 7.4 pt20 -128.45 -51.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' HG3' ' A' ' 12' ' ' GLN . 6.6 pm0 -172.9 144.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -170.27 128.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.63 -54.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -160.4 145.11 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 153.43 67.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 86.33 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 176.74 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 45' ' ' LEU . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 47' ' ' CYS . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 HG21 ' A' ' 21' ' ' ILE . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 30' ' ' LEU . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m -41.54 163.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -117.39 174.13 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.23 -158.01 28.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 84.61 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 m -82.13 -50.53 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.7 t -78.42 139.07 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -166.02 154.85 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -167.27 172.98 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 59.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -56.95 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -162.9 145.45 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 83.5 0.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -127.33 93.48 40.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.6 m -46.9 128.99 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.95 125.93 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.64 147.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -144.91 158.6 43.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -152.94 140.29 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -100.78 103.09 14.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.5 p -112.01 103.36 11.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -131.98 158.67 74.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.4 14.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.34 -51.49 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -145.08 179.47 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 29' ' ' PRO . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 47' ' ' CYS . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.637 ' HB2' HD23 ' A' ' 45' ' ' LEU . 9.4 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 38' ' ' GLN . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -105.86 109.59 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t -131.42 -43.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.25 -175.91 47.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.55 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m -57.85 -46.12 85.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -111.97 98.24 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.505 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.66 127.79 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -167.02 164.17 15.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.29 158.47 9.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -142.53 133.36 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -142.28 116.62 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.22 -159.72 27.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.23 83.35 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.668 0.747 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.63 23.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 10' ' ' THR . 8.8 t -123.49 118.61 27.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.83 107.98 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -166.39 134.63 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -77.66 146.02 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -150.0 128.97 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.6 tp -130.64 40.92 3.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -101.89 41.06 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -174.92 152.16 1.49 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.908 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.91 23.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.85 84.41 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -159.36 172.28 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 47' ' ' CYS . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.541 ' O ' ' NE2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t -38.25 -47.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -84.06 97.96 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -174.06 44.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.8 p -132.44 105.48 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -70.8 -53.44 15.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.517 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -123.89 97.1 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -169.22 172.76 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 -101.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 63.51 42.11 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -88.02 152.05 22.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 114.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -121.51 81.6 39.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.73 37.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.1 p -134.74 132.36 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.1 -58.63 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -43.72 159.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -126.38 119.53 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 16' ' ' THR . 14.9 pt20 -134.14 -177.73 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.12 124.84 13.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' GLN . 41.2 p -128.98 -43.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -56.03 157.96 7.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.22 63.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 144.45 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -168.08 179.83 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.728 HG21 HD12 ' A' ' 45' ' ' LEU . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 29' ' ' PRO . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.592 HH12 HD21 ' A' ' 52' ' ' LEU . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 HG21 ' A' ' 21' ' ' ILE . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD21 HH12 ' A' ' 39' ' ' ARG . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -116.07 44.02 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -108.78 80.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.12 130.11 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.3 m -73.49 -57.72 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -118.66 128.07 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -136.11 130.76 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -160.77 160.95 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.31 109.82 2.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -121.33 147.24 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -95.85 133.78 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 39.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -131.86 69.48 80.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.08 39.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -116.89 -50.87 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.21 148.89 25.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -80.6 -47.67 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -168.5 124.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' C ' HD12 ' A' ' 15' ' ' LEU . 55.1 tt0 -164.52 110.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 14' ' ' GLN . 5.7 mp -138.81 142.57 38.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -108.27 -42.08 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -101.94 149.7 36.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.527 0.679 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -63.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -161.93 143.49 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' OE1' ' A' ' 34' ' ' GLN . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' OE1' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 21' ' ' ILE . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t -98.77 78.59 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.5 p -119.91 42.14 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.67 68.47 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.69 8.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.36 153.63 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' GLY . 1.8 m -51.01 141.61 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -166.94 157.57 11.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 176.64 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 -160.72 9.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -166.81 174.12 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -167.94 171.18 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.02 153.03 17.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.72 147.17 26.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.9 p -122.88 150.1 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.45 166.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -166.88 148.72 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -124.94 142.95 51.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.44 42.02 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 104.23 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 17' ' ' LYS . 8.8 t -99.37 -41.21 7.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 16' ' ' THR . 15.3 mtpp -55.09 158.63 4.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.543 0.687 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 121.05 7.73 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.56 -44.41 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -96.33 -179.75 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 30' ' ' LEU . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.418 HG22 ' HB3' ' A' ' 48' ' ' SER . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -167.85 146.68 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.33 155.75 26.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.91 5.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -129.98 42.05 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -65.76 -44.94 84.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -164.39 139.38 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -161.86 169.58 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.65 33.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -172.26 141.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -154.99 160.95 41.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 126.23 0.89 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -149.46 137.13 11.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 114.34 3.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -144.87 112.64 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.08 171.59 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -133.38 157.33 45.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -153.78 123.99 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -145.64 167.06 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.9 mm? -115.42 128.06 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -125.6 111.84 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -144.64 152.73 53.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 113.88 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.315 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.3 -46.11 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -92.23 178.52 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HG2' HD11 ' A' ' 52' ' ' LEU . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CD2' HD12 ' A' ' 52' ' ' LEU . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 50' ' ' THR . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 48' ' ' SER . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD11 ' HG2' ' A' ' 39' ' ' ARG . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p -134.71 116.85 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 p -125.42 144.03 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.48 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' C ' ' A' ' 57' ' ' SER . 53.6 Cg_endo -69.73 100.12 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 0.0 112.308 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -79.62 163.72 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -89.98 146.86 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.89 166.76 23.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.59 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 151.7 8.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.63 170.59 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -158.91 157.54 31.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -172.38 32.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -145.91 143.91 20.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.98 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 10' ' ' THR . 4.0 t -113.5 81.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.81 129.62 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.75 133.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -103.99 147.05 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -130.23 42.0 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -92.01 -54.05 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.597 HG23 HD12 ' A' ' 15' ' ' LEU . 35.9 p -138.55 123.48 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -75.67 143.75 75.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.63 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -83.4 179.59 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 47' ' ' CYS . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 22.2 t -72.38 91.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.3 t 36.33 47.3 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.82 122.44 6.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.76 -1.64 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' PRO . 55.5 p -37.66 126.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -68.77 166.66 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.476 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -166.34 131.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.94 163.85 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.74 161.03 29.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -161.76 146.09 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -126.08 165.51 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 -135.55 8.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -131.49 150.68 77.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.655 0.74 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -174.41 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -126.31 163.79 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.61 170.51 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -151.14 167.78 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -130.38 171.32 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -131.37 153.44 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.71 163.87 15.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.5 m -49.56 98.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -69.49 135.6 88.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.555 0.693 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 103.63 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.07 -46.73 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -45.47 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 52' ' ' LEU . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' SER . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 52' ' ' LEU . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 50' ' ' THR . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' OG ' ' A' ' 48' ' ' SER . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 46' ' ' PHE . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m -34.45 -50.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 t -97.3 81.67 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.38 157.62 23.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 114.62 3.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 t -121.6 155.76 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.4 p -157.13 172.03 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.51 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -171.46 142.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -111.6 174.97 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.04 140.34 6.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -171.57 120.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -153.33 157.36 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.91 148.82 4.91 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -167.9 142.64 2.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -173.83 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 p -122.31 139.98 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.97 117.08 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -112.81 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -150.73 108.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' THR . 3.3 mp -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' LEU . 92.9 m -34.1 120.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 141.07 31.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.23 66.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.78 -59.21 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -107.13 172.07 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 30' ' ' LEU . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 29' ' ' PRO . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 47' ' ' CYS . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HB2' HD23 ' A' ' 45' ' ' LEU . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 52' ' ' LEU . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 38' ' ' GLN . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.578 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t -114.79 94.38 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -168.59 116.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.05 66.51 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.59 2.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' SER . 50.9 p -102.27 82.29 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' SER . 94.2 p 36.43 42.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.52 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -105.77 169.05 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -118.61 -58.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.92 110.13 2.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -72.36 -46.26 56.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -39.3 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.9 163.33 27.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.62 161.35 57.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -127.53 149.19 50.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.06 109.32 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -159.34 124.42 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -141.25 133.23 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -170.47 124.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -103.11 -27.4 12.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 120.28 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.36 153.9 56.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.64 9.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.19 45.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -165.75 -175.68 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.603 ' CE2' HG23 ' A' ' 49' ' ' THR . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 52' ' ' LEU . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 ' CE2' ' A' ' 37' ' ' TYR . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' THR . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 46' ' ' PHE . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -40.63 126.24 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.6 p -133.45 111.83 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.89 88.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.6 m -111.41 97.85 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -137.12 110.4 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.465 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -167.45 169.23 12.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -171.51 169.69 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.11 -163.0 10.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -174.42 176.34 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -165.66 174.05 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -177.85 26.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.38 143.84 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 171.03 15.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 56.8 p -106.0 -55.35 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' THR . . . 70.23 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -69.87 90.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -142.06 160.17 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -115.06 92.95 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -149.18 157.85 43.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.425 ' N ' HD22 ' A' ' 15' ' ' LEU . 7.3 t -119.75 -39.33 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -147.15 143.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 40.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -49.69 162.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 29' ' ' PRO . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' THR . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -45.01 -59.48 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 t -59.75 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.88 140.4 2.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.84 48.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.3 m -118.41 94.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -92.98 130.66 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -140.99 177.4 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -120.41 -55.04 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.37 -169.5 24.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -150.59 171.1 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -109.95 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.13 -166.4 12.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 39.0 tt0 -165.79 140.81 3.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.8 168.93 20.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.2 p -136.15 157.17 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.99 156.39 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -118.87 111.58 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -118.8 160.07 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -109.86 94.42 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 mt -155.42 132.49 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -125.96 115.86 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.02 143.19 25.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 53.9 Cg_endo -69.72 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.58 52.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' CD ' ' HB2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -155.61 173.58 16.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 22' ' ' THR . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 47' ' ' CYS . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.744 ' HB3' HD13 ' A' ' 52' ' ' LEU . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' A' ' 36' ' ' ALA . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -51.53 140.28 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 m -59.25 -50.27 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.07 -167.5 51.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 95.71 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.224 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.6 t -96.72 125.63 41.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 t -93.24 117.75 30.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -130.27 154.42 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 m -149.95 146.06 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 56.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -99.45 136.0 40.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -54.78 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.93 114.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -109.3 75.1 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.82 8.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 t -80.48 143.11 33.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 178.24 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.29 175.79 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -30.9 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.41 HE22 HG22 ' A' ' 16' ' ' THR . 5.0 pp0? -111.13 163.77 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.4 pp -130.58 127.38 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 HG22 HE22 ' A' ' 14' ' ' GLN . 15.0 t -152.55 138.05 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -97.07 151.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.521 0.677 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.1 9.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.368 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.34 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -145.47 177.63 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.685 ' HB2' HD23 ' A' ' 45' ' ' LEU . 9.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HG3' HD11 ' A' ' 52' ' ' LEU . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HZ2' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 38' ' ' GLN . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB3' HD21 ' A' ' 30' ' ' LEU . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -60.22 133.13 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.4 p -120.75 42.31 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.01 146.33 4.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.38 13.28 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -53.58 151.98 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.8 t -109.53 -53.59 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -171.19 118.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -155.76 144.2 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.41 166.65 32.78 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 173.83 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -146.97 129.7 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.99 146.09 11.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -113.31 86.02 9.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' THR . 53.8 Cg_endo -69.72 8.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' PRO . 5.6 t -33.54 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.82 -61.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 64.36 43.14 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -163.49 169.42 18.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 63.21 49.96 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.45 165.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.7 p -48.14 -46.38 34.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -153.66 154.19 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 155.32 66.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.25 -49.14 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -101.66 178.77 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t -44.99 -44.48 9.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 t -86.31 85.83 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.74 -70.68 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 162.19 43.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 m -74.65 141.32 44.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -107.92 99.23 8.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -166.83 111.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -152.65 162.87 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 117.22 1.9 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -141.4 112.47 7.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -138.65 171.29 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.56 55.39 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -115.04 81.11 7.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 121.12 7.82 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.4 p -149.04 124.02 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.33 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.34 102.97 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -161.85 161.86 29.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -142.44 153.65 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -175.02 158.7 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' LYS . 15.0 t -50.96 142.67 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' THR . 5.8 ptpp? -34.82 150.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.1 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -139.03 151.1 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' PRO . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 47' ' ' CYS . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CZ ' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 45' ' ' LEU . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 38' ' ' GLN . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -116.46 81.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -121.83 -49.78 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.78 -158.11 1.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 84.76 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.9 p -175.05 125.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.7 p -136.61 140.77 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -171.0 164.94 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -147.33 172.65 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.57 165.3 33.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -172.17 168.21 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -156.28 168.45 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.26 159.96 8.27 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -146.72 129.22 7.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 173.34 11.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -120.16 162.77 18.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.27 145.3 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.92 165.19 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.93 138.73 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -133.04 160.58 36.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.24 108.48 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.0 p -130.93 111.98 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 150.32 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.83 170.86 15.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 74.46 40.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -168.38 144.97 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 29' ' ' PRO . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' HD13 ' A' ' 52' ' ' LEU . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.683 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD11 ' HG2' ' A' ' 39' ' ' ARG . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -43.71 -62.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.8 m -60.23 99.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -35.67 138.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 p -72.34 -55.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m -67.67 162.35 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -158.92 166.93 30.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -136.15 170.83 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -170.81 20.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -169.7 129.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 148.98 24.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.86 -154.5 24.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -129.45 149.62 73.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.5 14.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ALA . 73.7 p -137.48 125.42 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -34.31 137.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -173.3 150.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -137.1 136.56 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -140.08 141.6 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -99.86 -54.56 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -70.92 128.47 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -124.01 151.16 64.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 82.51 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 -47.68 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 -179.36 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 52' ' ' LEU . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -55.5 127.91 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.9 t -79.52 47.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.24 167.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 p -90.04 148.73 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -159.09 164.06 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HA ' HG22 ' A' ' 22' ' ' THR . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 8.5 mm-40 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.747 0.308 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 45' ' ' LEU . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 45' ' ' LEU . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 21' ' ' ILE . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 52' ' ' LEU . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 46' ' ' PHE . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.774 0.321 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 45' ' ' LEU . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 47' ' ' CYS . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 HG21 ' A' ' 21' ' ' ILE . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 30' ' ' LEU . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 29' ' ' PRO . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 47' ' ' CYS . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.637 ' HB2' HD23 ' A' ' 45' ' ' LEU . 56.9 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.505 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 38' ' ' GLN . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.774 0.321 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 47' ' ' CYS . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.445 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.728 HG21 HD12 ' A' ' 45' ' ' LEU . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 29' ' ' PRO . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.592 HH12 HD21 ' A' ' 52' ' ' LEU . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 HG21 ' A' ' 21' ' ' ILE . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD21 HH12 ' A' ' 39' ' ' ARG . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' OE1' ' A' ' 34' ' ' GLN . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' OE1' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 21' ' ' ILE . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.73 0.3 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 30' ' ' LEU . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.418 HG22 ' HB3' ' A' ' 48' ' ' SER . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HG2' HD11 ' A' ' 52' ' ' LEU . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CD2' HD12 ' A' ' 52' ' ' LEU . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 50' ' ' THR . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 48' ' ' SER . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.47 HD11 ' HG2' ' A' ' 39' ' ' ARG . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.795 0.331 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 47' ' ' CYS . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.709 0.29 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 52' ' ' LEU . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' SER . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 52' ' ' LEU . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 50' ' ' THR . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' OG ' ' A' ' 48' ' ' SER . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 46' ' ' PHE . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.747 0.308 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 30' ' ' LEU . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 29' ' ' PRO . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 47' ' ' CYS . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HB2' HD23 ' A' ' 45' ' ' LEU . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 52' ' ' LEU . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 38' ' ' GLN . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.578 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.758 0.314 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.603 ' CE2' HG23 ' A' ' 49' ' ' THR . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 52' ' ' LEU . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 ' CE2' ' A' ' 37' ' ' TYR . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' THR . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 46' ' ' PHE . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.735 0.303 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 29' ' ' PRO . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' THR . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.765 0.317 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 22' ' ' THR . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 47' ' ' CYS . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.744 ' HB3' HD13 ' A' ' 52' ' ' LEU . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' A' ' 36' ' ' ALA . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.726 0.298 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.685 ' HB2' HD23 ' A' ' 45' ' ' LEU . 47.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HG3' HD11 ' A' ' 52' ' ' LEU . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HZ2' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 38' ' ' GLN . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB3' HD21 ' A' ' 30' ' ' LEU . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.751 0.31 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.418 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.764 0.316 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' PRO . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 47' ' ' CYS . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CZ ' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 45' ' ' LEU . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 38' ' ' GLN . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 29' ' ' PRO . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' HD13 ' A' ' 52' ' ' LEU . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.683 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.683 HD11 ' HG2' ' A' ' 39' ' ' ARG . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.773 0.321 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.433 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 43' ' ' ALA . 15.1 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 52' ' ' LEU . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -169.73 173.43 6.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -145.68 172.96 12.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.75 172.56 37.96 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 m -102.75 -62.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.836 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t 54.76 42.44 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.11 154.83 16.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -125.52 84.45 60.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.552 0.692 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 112.22 3.03 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.28 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 97.1 m -133.91 133.44 41.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.81 111.33 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -145.3 153.78 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -118.94 130.72 55.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -163.72 168.63 19.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.13 124.11 21.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 85.4 m -47.33 -50.75 21.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 148.08 26.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.626 0.727 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 156.6 62.88 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.42 -47.73 6.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.057 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -110.84 178.94 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.5 mt -117.14 142.1 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.1 p -141.37 162.82 34.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.5 t -70.11 136.97 50.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.15 18.2 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.5 t30 -128.09 -59.9 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.3 p -95.21 -16.78 22.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp 63.74 47.83 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -101.52 143.57 26.86 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 110.929 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' HA ' HG22 ' A' ' 22' ' ' THR . 54.2 Cg_endo -69.74 94.82 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.654 2.236 . . . . 0.0 112.391 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 20.2 mt -67.82 112.53 4.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.12 142.5 25.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -58.43 115.08 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.79 -50.05 0.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 8.5 mm-40 -45.04 146.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.6 m -71.05 143.49 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.62 146.29 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -103.26 137.1 41.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.461 ' OE1' ' CD2' ' A' ' 45' ' ' LEU . 5.6 tt0 -134.87 135.52 41.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -81.24 167.09 19.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' GLY . 19.7 tptt -65.4 146.55 54.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' LYS . . . 36.85 54.11 1.46 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.461 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 p -150.79 150.93 31.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 0.0 110.815 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.85 41.11 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.144 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -123.42 131.3 53.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD2' ' OE1' ' A' ' 38' ' ' GLN . 78.4 mt -104.42 168.03 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -143.87 158.69 43.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.88 -38.75 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m -160.57 158.01 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 38.7 p -43.75 -52.05 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 7.9 t -34.03 -39.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -86.39 -53.62 4.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 tp -35.09 -42.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 t -80.38 -46.74 15.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -50.39 -47.06 56.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -47.66 -53.9 13.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.7 t -38.84 110.16 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.8 p -83.54 -51.13 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.0 -158.59 22.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 80.3 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.1 t -132.81 84.94 2.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p 42.41 41.61 2.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -165.37 173.31 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -141.22 176.85 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.31 174.68 27.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p -167.8 175.02 7.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 110.912 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 p -142.47 155.35 45.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.82 -168.88 29.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.52 73.32 68.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 87.21 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.9 p -118.64 105.29 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -168.56 113.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -111.62 41.56 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -172.99 162.07 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -144.69 157.14 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.56 141.91 37.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.525 HG23 ' HD3' ' A' ' 17' ' ' LYS . 1.7 t -63.93 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HD3' HG23 ' A' ' 16' ' ' THR . 2.9 mppt? -112.47 161.61 25.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.599 0.714 . . . . 0.0 110.889 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.74 4.56 2.11 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.643 2.229 . . . . 0.0 112.359 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 69.68 41.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.91 150.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 HG21 HD12 ' A' ' 45' ' ' LEU . 64.5 mt -135.51 137.72 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 p -128.49 156.62 42.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.0 t -60.71 138.19 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.3 19.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.8 t30 -131.09 -59.8 0.98 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.7 p -95.55 -14.36 23.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm 62.06 48.22 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -98.53 144.01 27.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 97.01 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.694 2.263 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.557 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.6 mt -77.17 153.36 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -110.38 150.32 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 36.6 pttt -53.09 -42.02 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.477 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . -66.07 -45.95 83.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -53.01 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -112.59 136.69 51.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -120.26 177.01 5.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.35 150.1 50.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.942 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' HG3' HD23 ' A' ' 45' ' ' LEU . 34.4 tt0 -138.67 151.95 47.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.09 174.86 6.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -83.66 118.56 23.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.58 49.09 11.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -173.63 138.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 110.844 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' HIS . . . -79.65 -36.81 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' ALA . 10.6 m170 -35.47 122.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 21' ' ' ILE . 90.2 mt -106.41 176.34 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.452 ' CD2' HD12 ' A' ' 52' ' ' LEU . 80.5 m-85 -145.99 154.46 41.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.0 p -80.51 -39.06 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 p -149.91 170.12 19.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.9 p -60.14 -45.9 91.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.8 t -41.93 -38.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -83.45 -48.64 10.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 46' ' ' PHE . 4.8 tp -43.41 -40.65 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.1 p -85.5 -46.27 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -48.67 -47.67 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -44.05 -52.26 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.3 p -101.44 91.59 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 t -61.61 -53.26 58.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -125.72 -171.44 13.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 142.74 48.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.8 p -68.74 168.52 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.1 m -101.47 135.83 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.463 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -153.79 175.84 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.22 151.09 41.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.29 179.58 16.26 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -173.24 174.85 3.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 p -147.05 178.2 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.18 139.37 2.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.458 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.82 143.97 14.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.549 0.69 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 173.6 10.76 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' THR . 13.6 t -113.07 40.74 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.0 174.6 7.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.415 ' HG3' ' CD ' ' A' ' 13' ' ' GLN . 7.4 pt20 -128.45 -51.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' CD ' ' HG3' ' A' ' 12' ' ' GLN . 6.6 pm0 -172.9 144.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -170.27 128.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.9 mt -125.63 -54.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -160.4 145.11 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 153.43 67.63 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 86.33 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.65 -47.54 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 176.74 10.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 45' ' ' LEU . 41.8 mt -122.61 150.47 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -133.43 151.79 51.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -56.41 137.48 52.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 55' ' ' PHE . . . -81.87 18.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.0 t30 -129.19 -61.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 23.2 p -92.4 -14.58 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt 62.46 45.79 6.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -99.34 148.02 34.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 99.6 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 47' ' ' CYS . 26.4 mt -78.61 130.59 36.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -98.98 150.87 21.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -42.45 -47.36 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.64 -39.47 66.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.34 131.27 40.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 37' ' ' TYR . 15.0 t -75.55 162.08 28.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.53 145.28 44.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' CE1' HG23 ' A' ' 35' ' ' THR . 67.7 m-85 -120.56 130.94 54.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -144.18 172.18 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -123.63 145.16 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -40.38 124.38 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.07 -40.81 3.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 m -74.0 97.39 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.37 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.04 99.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -46.45 133.73 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD12 HG21 ' A' ' 21' ' ' ILE . 12.3 mt -98.22 173.58 6.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 52' ' ' LEU . 89.2 m-85 -143.63 157.94 44.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 30' ' ' LEU . 19.3 p -79.51 -43.87 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -148.57 179.38 7.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 50' ' ' THR . 30.8 p -61.03 -53.19 60.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.183 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' THR . 41.4 m -33.94 -47.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 98.8 m -78.01 -53.21 7.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.8 tp -37.03 -48.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.0 t -79.73 -46.75 16.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -46.62 -54.08 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 24' ' ' ALA . 32.1 t80 -52.71 -52.76 54.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 m -41.54 163.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -117.39 174.13 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.23 -158.01 28.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 84.61 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.649 2.233 . . . . 0.0 112.378 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 36.1 m -82.13 -50.53 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.7 t -78.42 139.07 38.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -166.02 154.85 11.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -167.27 172.98 9.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.55 59.68 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 p -56.95 -51.23 69.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -162.9 145.45 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 83.5 0.1 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -127.33 93.48 40.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 0.0 110.914 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 3.28 2.83 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.706 2.271 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.6 m -46.9 128.99 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.95 125.93 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -172.64 147.12 1.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -144.91 158.6 43.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -152.94 140.29 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.0 mt -100.78 103.09 14.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.5 p -112.01 103.36 11.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -131.98 158.67 74.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.619 0.724 . . . . 0.0 110.898 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.4 14.56 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.363 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.34 -51.49 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -145.08 179.47 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.6 mt -117.23 139.6 43.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 29' ' ' PRO . 9.8 p -140.63 155.81 46.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.1 t -57.24 135.73 56.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.61 16.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -125.66 -62.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.6 p -92.43 -18.39 23.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt 66.22 47.97 1.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -101.26 148.05 34.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.54 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.7 Cg_endo -69.83 98.13 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.62 2.213 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 47' ' ' CYS . 15.4 mt -81.73 131.11 35.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -86.5 153.05 22.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -48.43 -59.23 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -44.36 41.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -50.81 163.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -108.24 146.18 33.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.61 153.37 48.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -112.72 138.75 49.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.637 ' HB2' HD23 ' A' ' 45' ' ' LEU . 56.9 tt0 -140.34 140.33 35.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.505 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 2.9 mmp_? -88.71 169.07 11.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -83.11 119.78 24.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.62 44.65 48.7 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.3 m -128.55 -38.58 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 64.92 42.15 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -142.99 128.32 18.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 HD23 ' HB2' ' A' ' 38' ' ' GLN . 90.1 mt -94.84 164.3 12.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -143.67 157.61 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.8 p -80.85 -40.83 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.8 m -153.93 171.9 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' THR . 25.1 p -55.57 -49.65 72.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' THR . 26.0 m -36.83 -46.0 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 61.9 m -78.5 -46.44 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 39' ' ' ARG . 7.8 tp -48.33 -44.48 34.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 t -77.79 -50.52 12.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 m -48.28 -54.04 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -46.76 -55.41 7.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -105.86 109.59 21.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.2 t -131.42 -43.12 1.04 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.25 -175.91 47.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.55 0.69 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.0 m -57.85 -46.12 85.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -111.97 98.24 7.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.505 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -166.66 127.79 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.894 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -167.02 164.17 15.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.29 158.47 9.18 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.431 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -142.53 133.36 25.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.374 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -142.28 116.62 9.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.22 -159.72 27.12 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -108.23 83.35 1.83 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.668 0.747 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.63 23.72 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.719 2.28 . . . . 0.0 112.319 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 10' ' ' THR . 8.8 t -123.49 118.61 27.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.83 107.98 4.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -166.39 134.63 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -77.66 146.02 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -150.0 128.97 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.6 tp -130.64 40.92 3.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 m -101.89 41.06 1.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -174.92 152.16 1.49 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.908 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.91 23.14 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.651 2.234 . . . . 0.0 112.332 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.85 84.41 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -159.36 172.28 18.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.3 mt -116.25 139.09 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 p -137.23 153.78 50.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 46.6 t -57.79 137.05 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.16 17.22 1.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -129.49 -60.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.3 p -93.47 -16.51 24.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.88 45.76 5.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -97.6 145.42 29.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.545 0.688 . . . . 0.0 110.928 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 94.96 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.338 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' HB3' ' A' ' 47' ' ' CYS . 17.6 mt -69.81 111.5 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.49 126.27 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -49.77 126.46 13.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.11 32.03 15.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.445 ' H ' ' CD ' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -107.25 -179.42 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.94 0.4 . . . . 0.0 110.87 -179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.8 m -98.67 130.62 45.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.81 174.12 10.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -118.29 117.83 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.414 ' CD ' ' N ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.99 133.17 48.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 4.7 tpt180 -120.31 98.35 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -41.58 141.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.76 -41.19 2.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.511 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 t -78.7 -35.67 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 61.23 42.73 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -145.14 133.67 21.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.2 mt -88.75 158.82 18.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CD2' HD12 ' A' ' 52' ' ' LEU . 93.7 m-85 -137.25 153.6 50.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.3 p -76.55 -33.98 58.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 t -156.41 175.07 14.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -63.19 -47.37 82.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.9 m -40.2 -42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 57.0 m -79.66 -47.81 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 46' ' ' PHE . 6.0 tp -43.83 -46.47 7.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.7 p -79.32 -52.46 8.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -43.43 -47.45 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -48.61 -43.23 36.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.2 t -38.25 -47.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.2 t -84.06 97.96 9.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -174.06 44.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 85.14 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.8 p -132.44 105.48 7.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.6 t -70.8 -53.44 15.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.517 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -123.89 97.1 5.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -169.22 172.76 7.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.13 -101.34 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 63.51 42.11 6.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 0.0 110.873 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.8 t -88.02 152.05 22.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.4 114.64 0.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -121.51 81.6 39.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.575 0.702 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 163.73 37.22 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.1 p -134.74 132.36 38.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.1 -58.63 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -43.72 159.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -126.38 119.53 27.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.449 ' O ' HG23 ' A' ' 16' ' ' THR . 14.9 pt20 -134.14 -177.73 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -52.12 124.84 13.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 14' ' ' GLN . 41.2 p -128.98 -43.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.14 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -56.03 157.96 7.73 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 156.22 63.98 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.77 144.45 33.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -168.08 179.83 4.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.728 HG21 HD12 ' A' ' 45' ' ' LEU . 64.9 mt -108.8 138.01 37.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.416 HG22 ' HA ' ' A' ' 29' ' ' PRO . 7.1 p -132.54 144.99 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -45.89 138.24 5.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.5 21.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.5 t30 -133.24 -60.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.1 p -94.14 -16.01 24.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt 64.71 46.11 3.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -96.25 145.28 29.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.924 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.73 95.38 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.9 mt -77.43 118.54 19.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -58.48 131.18 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 pttm -56.2 106.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.27 -41.18 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -57.55 140.94 49.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.7 m -61.33 138.98 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.69 150.54 41.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -107.21 130.85 54.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -142.33 169.14 18.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.592 HH12 HD21 ' A' ' 52' ' ' LEU . 9.4 mmp_? -109.83 155.18 21.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.4 tttm -67.58 114.44 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.98 1.6 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.496 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.2 t -78.1 144.83 36.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -105.81 37.87 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -119.89 126.8 51.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD12 HG21 ' A' ' 21' ' ' ILE . 69.7 mt -91.93 162.78 14.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -136.78 151.5 49.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -73.89 -45.29 51.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 8.6 t -147.76 167.07 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 50' ' ' THR . 64.3 p -52.45 -49.92 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 49' ' ' THR . 19.7 m -37.23 -48.96 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 60.7 m -73.77 -50.34 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD21 HH12 ' A' ' 39' ' ' ARG . 7.1 tp -36.79 -46.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.9 t -81.73 -52.06 7.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.8 t -42.03 -42.93 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -44.31 -44.14 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -116.07 44.02 2.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.8 p -108.78 80.55 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -95.12 130.11 10.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 179.99 3.32 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.674 2.25 . . . . 0.0 112.356 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.3 m -73.49 -57.72 3.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 t -118.66 128.07 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.526 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -136.11 130.76 33.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -160.77 160.95 31.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.31 109.82 2.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t -121.33 147.24 45.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.3 p -95.85 133.78 39.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.66 39.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.448 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -131.86 69.48 80.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 163.08 39.56 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.3 m -116.89 -50.87 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.21 148.89 25.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -80.6 -47.67 13.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -168.5 124.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' C ' HD12 ' A' ' 15' ' ' LEU . 55.1 tt0 -164.52 110.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' C ' ' A' ' 14' ' ' GLN . 5.7 mp -138.81 142.57 38.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -108.27 -42.08 4.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -101.94 149.7 36.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.527 0.679 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 167.55 24.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -63.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -161.93 143.49 11.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 55.1 mt -143.31 139.16 26.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -127.88 145.59 50.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 40.9 t -52.43 135.25 33.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 44' ' ' HIS . . . -82.75 23.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -134.48 -59.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.48 -15.14 24.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.32 46.18 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -98.63 144.58 28.41 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.515 0.674 . . . . 0.0 110.924 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 96.82 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.378 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.436 HD22 ' OE1' ' A' ' 34' ' ' GLN . 49.7 mt -70.0 118.51 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -56.77 163.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.35 40.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.54 -38.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' OE1' HD22 ' A' ' 30' ' ' LEU . 1.1 pp0? -52.67 171.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -95.6 156.03 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.02 140.01 49.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 49' ' ' THR . 25.5 m-85 -107.78 129.22 55.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -140.37 138.93 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.8 ttt-85 -78.69 -71.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.9 mttp -171.13 110.03 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' SER . . . 76.52 -45.65 2.14 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' GLY . 1.6 t -33.47 116.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.04 43.09 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . 40.0 m-70 -142.97 116.43 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 21' ' ' ILE . 74.3 mt -88.28 169.55 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.38 154.35 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.1 p -75.08 -37.69 61.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -155.37 156.88 36.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.465 HG23 ' CE2' ' A' ' 37' ' ' TYR . 25.7 p -45.43 -49.85 12.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.7 t -37.84 -41.53 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.6 m -81.56 -48.68 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 tp -40.3 -52.26 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -75.56 -52.05 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -41.88 -44.18 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -44.13 -48.68 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.1 t -98.77 78.59 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 84.5 p -119.91 42.14 2.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.67 68.47 1.66 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 121.69 8.39 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.1 t -68.36 153.63 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' GLY . 1.8 m -51.01 141.61 13.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.806 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.474 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -166.94 157.57 11.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -144.38 176.64 9.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.54 -160.72 9.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -166.81 174.12 8.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -167.94 171.18 9.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.02 153.03 17.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.72 147.17 26.52 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.621 0.724 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.41 23.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.411 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.9 p -122.88 150.1 43.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.45 166.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -166.88 148.72 6.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -124.94 142.95 51.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.44 42.02 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 104.23 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 17' ' ' LYS . 8.8 t -99.37 -41.21 7.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' HG23 ' A' ' 16' ' ' THR . 15.3 mtpp -55.09 158.63 4.72 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.543 0.687 . . . . 0.0 110.885 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 121.05 7.73 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.279 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.56 -44.41 5.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -96.33 -179.75 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 74.8 mt -112.77 137.9 44.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.6 p -129.02 142.84 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.6 t -41.94 135.77 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.97 19.7 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -130.56 -60.5 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -96.87 -13.17 22.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt 62.53 53.9 2.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -106.52 147.11 34.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.544 0.688 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 104.01 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 47' ' ' CYS . 16.5 mt -85.93 112.44 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.63 161.07 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -43.33 96.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.72 -41.45 56.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -43.59 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.924 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m -111.38 142.85 43.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.72 136.0 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 7.2 m-85 -87.6 120.95 29.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -106.05 137.27 44.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.2 ttp85 -94.0 165.95 12.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 41' ' ' GLY . 7.0 mtpm? -62.0 146.71 49.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 40' ' ' LYS . . . 34.47 49.09 0.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.479 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -143.51 156.13 44.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.42 -53.21 2.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -40.52 124.97 2.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 mt -89.12 170.78 10.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 99.2 m-85 -142.27 158.09 44.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 30' ' ' LEU . 17.7 p -76.77 -35.47 57.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.1 t -158.72 157.38 31.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 3.7 t -47.82 -33.48 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.418 HG22 ' HB3' ' A' ' 48' ' ' SER . 5.8 t -52.65 -33.15 45.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -92.51 -54.15 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.74 -39.89 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.47 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.9 t -85.85 -49.39 7.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.9 t -46.56 -46.07 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.822 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 56' ' ' SER . 43.2 t80 -43.99 -50.85 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PHE . 30.6 p -36.99 -43.21 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.805 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.8 t -167.85 146.68 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.33 155.75 26.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -39.91 5.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.295 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -129.98 42.05 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -65.76 -44.94 84.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -164.39 139.38 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -161.86 169.58 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.806 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.65 33.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -172.26 141.21 1.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -154.99 160.95 41.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.94 126.23 0.89 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -149.46 137.13 11.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.905 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 114.34 3.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 77.2 p -144.87 112.64 6.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.08 171.59 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -133.38 157.33 45.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -153.78 123.99 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -145.64 167.06 23.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.9 mm? -115.42 128.06 55.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.8 p -125.6 111.84 15.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.174 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -144.64 152.73 53.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.89 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 113.88 3.52 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.651 2.234 . . . . 0.0 112.315 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.3 -46.11 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -92.23 178.52 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.0 mt -102.39 141.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 p -127.66 163.43 24.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.41 138.26 53.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 55' ' ' PHE . . . -82.16 20.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.0 t30 -132.03 -59.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.17 -13.72 21.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 3.1 mppt? 62.5 48.72 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -102.29 145.08 29.86 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.692 2.261 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 47' ' ' CYS . 18.6 mt -80.24 148.99 30.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.93 145.53 35.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -43.64 -46.03 7.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.98 -47.27 90.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -59.16 160.5 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -98.83 144.68 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.23 153.25 46.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -106.31 139.23 41.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.967 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -118.42 146.46 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HG2' HD11 ' A' ' 52' ' ' LEU . 13.4 mmm180 -110.18 128.37 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -44.54 144.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.38 51.88 14.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -166.96 137.79 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.12 41.72 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -126.47 116.89 21.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.6 mt -93.55 171.13 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.463 ' CD2' HD12 ' A' ' 52' ' ' LEU . 96.0 m-85 -138.7 155.07 48.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.6 p -75.08 -41.36 59.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 50' ' ' THR . 7.4 t -154.54 167.87 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 49.4 p -54.09 -48.15 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 48' ' ' SER . 6.3 t -40.76 -36.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.5 m -87.48 -44.42 11.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.47 HD11 ' HG2' ' A' ' 39' ' ' ARG . 6.2 tp -47.53 -41.84 22.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -84.05 -47.79 10.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.81 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -48.35 -45.93 36.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 24' ' ' ALA . 53.5 t80 -44.03 -54.98 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.1 p -134.71 116.85 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.419 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 64.1 p -125.42 144.03 50.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.02 -64.48 0.59 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD2' ' C ' ' A' ' 57' ' ' SER . 53.6 Cg_endo -69.73 100.12 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 0.0 112.308 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -79.62 163.72 24.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -89.98 146.86 24.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -141.89 166.76 23.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -170.59 173.45 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.55 151.7 8.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.63 170.59 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -158.91 157.54 31.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.36 -172.38 32.72 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -145.91 143.91 20.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.9 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.98 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.663 2.242 . . . . 0.0 112.376 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 10' ' ' THR . 4.0 t -113.5 81.9 1.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.81 129.62 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.75 133.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -103.99 147.05 27.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -130.23 42.0 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 HD12 HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER -92.01 -54.05 4.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.597 HG23 HD12 ' A' ' 15' ' ' LEU . 35.9 p -138.55 123.48 18.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -75.67 143.75 75.78 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.23 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.63 -58.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -83.4 179.59 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.0 mt -110.74 139.82 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.2 p -133.95 143.73 48.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.3 t -43.69 136.85 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.8 20.19 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.3 t30 -131.07 -61.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.1 p -92.26 -17.59 24.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm 66.01 48.45 1.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -100.85 147.43 33.66 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.619 0.723 . . . . 0.0 110.919 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.75 96.84 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 47' ' ' CYS . 34.2 mt -73.22 129.47 38.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -90.08 171.6 9.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -59.59 -52.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.44 -45.77 95.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -49.41 145.43 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.896 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.7 t -87.99 170.79 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.11 146.58 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -117.43 133.45 55.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -138.92 145.14 39.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HG3' HD11 ' A' ' 52' ' ' LEU . 74.5 mtp85 -99.58 175.05 5.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 38.1 tttt -81.36 140.53 34.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.26 40.89 96.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.5 t -155.74 143.85 19.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -110.55 41.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -124.35 131.68 53.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.85 166.33 11.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -142.91 153.78 43.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HB3' HD21 ' A' ' 30' ' ' LEU . 18.3 p -76.97 -40.69 45.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -150.02 -178.18 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.3 p -66.05 -50.9 62.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.1 t -37.27 -37.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 78.2 m -87.77 -46.78 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.7 tp -43.75 -49.47 7.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.2 t -78.98 -50.5 11.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -43.02 -50.36 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -43.99 -38.27 3.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' SER . 22.2 t -72.38 91.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.3 t 36.33 47.3 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.82 122.44 6.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.545 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.76 -1.64 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' PRO . 55.5 p -37.66 126.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -68.77 166.66 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.476 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 p -166.34 131.58 2.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -166.94 163.85 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.74 161.03 29.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -161.76 146.09 12.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -126.08 165.51 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.52 -135.55 8.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.467 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -131.49 150.68 77.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.655 0.74 . . . . 0.0 110.909 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -174.41 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -126.31 163.79 22.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.61 170.51 9.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -151.14 167.78 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.469 ' NE2' ' H ' ' A' ' 13' ' ' GLN . 2.3 pm0 -130.38 171.32 13.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -131.37 153.44 49.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.71 163.87 15.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.5 m -49.56 98.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -69.49 135.6 88.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.555 0.693 . . . . 0.0 110.892 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 103.63 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.07 -46.73 6.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.4 ptmt -45.47 170.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 63.7 mt -117.82 140.34 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.0 p -139.94 159.7 41.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 38.7 t -63.08 138.78 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.13 21.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.1 t30 -134.01 -62.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -95.5 -13.86 24.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 63.17 52.01 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -104.43 141.53 22.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.532 0.682 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 99.12 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.4 mt -74.77 117.23 16.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -70.74 151.26 45.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -50.35 128.3 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.65 -43.83 1.69 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -43.96 110.54 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.8 t -40.85 158.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.81 141.72 34.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.534 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 1.9 m-85 -103.84 139.94 38.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 39' ' ' ARG . 53.1 tt0 -147.59 159.05 44.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' HG3' HD11 ' A' ' 52' ' ' LEU . 33.7 mtp85 -117.2 177.09 4.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -78.62 144.41 35.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.97 60.05 1.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 t -130.43 -45.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.794 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 42' ' ' SER . . . 67.33 41.83 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -151.22 134.41 16.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 71.8 mt -99.73 163.45 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.524 ' CD2' HD12 ' A' ' 52' ' ' LEU . 98.1 m-85 -141.26 161.63 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.0 p -75.9 -42.12 50.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 50' ' ' THR . 6.8 p -146.34 -178.56 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 2.5 t -69.66 -32.98 71.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.543 HG22 ' OG ' ' A' ' 48' ' ' SER . 14.5 t -55.41 -36.7 66.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.117 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 64.4 m -85.52 -40.88 15.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 46' ' ' PHE . 5.2 tp -54.61 -45.73 73.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.2 p -78.38 -45.22 22.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -53.86 -51.93 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 56' ' ' SER . 37.1 t80 -44.07 -54.35 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 55' ' ' PHE . 45.9 m -34.45 -50.49 0.43 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 t -97.3 81.67 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.894 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -135.38 157.62 23.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 114.62 3.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.385 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 t -121.6 155.76 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.4 p -157.13 172.03 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.51 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -171.46 142.72 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -111.6 174.97 5.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.04 140.34 6.71 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 p -171.57 120.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -153.33 157.36 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.91 148.82 4.91 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -167.9 142.64 2.99 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -173.83 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.6 p -122.31 139.98 53.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.97 117.08 33.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -112.81 175.51 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -150.73 108.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 16' ' ' THR . 3.3 mp -144.5 176.76 9.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 15' ' ' LEU . 92.9 m -34.1 120.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.091 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.42 141.07 31.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.92 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 155.23 66.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.78 -59.21 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 pttt -107.13 172.07 7.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.495 HG22 HD12 ' A' ' 30' ' ' LEU . 81.5 mt -124.28 134.18 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 29' ' ' PRO . 12.9 p -144.5 165.8 26.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -69.28 138.11 53.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.84 22.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.8 t30 -133.81 -59.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.4 p -95.31 -15.99 22.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm 64.89 46.57 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -95.04 146.44 31.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.2 Cg_endo -69.8 96.92 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 47' ' ' CYS . 6.6 mt -82.11 113.14 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -49.51 164.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -85.2 83.54 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.31 -39.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -49.67 145.49 5.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 99.0 m -71.17 142.11 50.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.45 158.79 38.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 49' ' ' THR . 3.6 m-85 -100.07 128.04 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.432 ' HB2' HD23 ' A' ' 45' ' ' LEU . 18.3 tt0 -136.65 131.35 33.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.761 ' HG3' HD11 ' A' ' 52' ' ' LEU . 6.8 mtp180 -73.58 176.22 6.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -85.51 -54.53 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.81 52.99 3.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 m -168.07 149.66 5.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.4 42.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -123.24 139.83 53.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 38' ' ' GLN . 57.0 mt -102.47 164.86 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 91.3 m-85 -145.57 162.51 37.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.8 p -82.58 -40.65 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.9 p -148.83 147.81 29.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.578 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.0 t -42.62 -34.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.204 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -51.15 -41.58 60.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -80.22 -47.72 14.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.761 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.5 tp -39.48 -47.7 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.5 p -80.79 -41.56 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 t -50.29 -46.16 55.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -46.92 -49.28 20.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.5 t -114.79 94.38 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.7 t -168.59 116.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 50.05 66.51 2.3 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.59 2.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 61' ' ' SER . 50.9 p -102.27 82.29 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 60' ' ' SER . 94.2 p 36.43 42.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.52 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -105.77 169.05 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 p -118.61 -58.25 1.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.92 110.13 2.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -72.36 -46.26 56.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -39.3 156.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.9 163.33 27.87 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -128.62 161.35 57.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.727 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 107.26 1.82 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.338 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.7 p -127.53 149.19 50.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.06 109.32 8.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -159.34 124.42 4.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -141.25 133.23 27.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -170.47 124.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 pp -103.11 -27.4 12.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.7 t -128.17 120.28 26.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.36 153.9 56.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.701 . . . . 0.0 110.939 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.64 9.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.19 45.32 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -165.75 -175.68 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mm -143.04 152.39 17.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -145.46 146.13 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.183 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.9 t -53.88 138.99 35.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . . . -82.45 19.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 3.2 t30 -130.87 -66.41 0.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.73 -12.16 37.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 0.1 OUTLIER 62.71 47.21 4.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -99.21 144.8 28.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 104.17 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.332 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 47' ' ' CYS . 2.7 mt -93.92 123.16 37.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -80.5 173.05 12.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.6 82.23 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' GLN . . . 148.62 -49.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' GLY . 16.7 mm100 -34.12 -72.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.916 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -174.84 163.2 3.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -173.34 135.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.603 ' CE2' HG23 ' A' ' 49' ' ' THR . 18.7 m-85 -120.79 135.74 55.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -140.83 124.05 16.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CZ ' ' HG ' ' A' ' 52' ' ' LEU . 68.8 mtt180 -86.76 149.18 25.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -51.17 131.83 27.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.31 -46.43 3.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.2 p -76.57 145.43 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.879 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.48 -42.18 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -40.35 139.09 0.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.22 172.8 6.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.461 ' CE2' HD12 ' A' ' 52' ' ' LEU . 97.6 m-85 -146.68 162.31 38.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.7 p -79.87 -42.29 24.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.534 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 59.4 m -155.15 161.05 41.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 ' CE2' ' A' ' 37' ' ' TYR . 23.5 p -48.16 -46.26 34.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.4 t -41.97 -43.56 3.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 50' ' ' THR . 56.5 m -77.14 -56.02 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.461 HD12 ' CE2' ' A' ' 46' ' ' PHE . 5.7 tp -34.24 -55.26 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.6 t -68.32 -47.5 67.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 t -47.24 -52.11 16.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -53.68 -49.0 68.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -40.63 126.24 2.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.6 p -133.45 111.83 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.89 88.73 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -5.25 15.74 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.387 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.6 m -111.41 97.85 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.3 m -137.12 110.4 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.465 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -167.45 169.23 12.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.847 0.356 . . . . 0.0 110.846 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -171.51 169.69 6.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.11 -163.0 10.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 t -174.42 176.34 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.7 p -165.66 174.05 10.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -177.85 26.28 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.38 143.84 4.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 171.03 15.17 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.682 2.254 . . . . 0.0 112.316 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 56.8 p -106.0 -55.35 2.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 10' ' ' THR . . . 70.23 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -69.87 90.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -142.06 160.17 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -115.06 92.95 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -149.18 157.85 43.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.425 ' N ' HD22 ' A' ' 15' ' ' LEU . 7.3 t -119.75 -39.33 2.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -147.15 143.85 18.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.19 67.93 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.35 40.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -49.69 162.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.3 mt -127.73 138.05 55.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.514 HG22 ' HA ' ' A' ' 29' ' ' PRO . 2.5 p -138.92 159.69 41.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -63.21 135.58 57.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.07 18.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.9 t30 -129.74 -61.13 1.01 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.6 p -93.45 -15.17 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtm 63.16 49.83 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' THR . 7.0 mtpm? -100.77 144.6 28.84 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.5 Cg_endo -69.73 96.91 0.61 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.74 2.293 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 47' ' ' CYS . 28.3 mt -75.43 141.77 43.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 32' ' ' LYS . 7.1 tt0 -100.91 150.74 22.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 31' ' ' GLN . 11.7 ttmm -43.25 -52.32 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.89 -43.81 98.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -51.75 132.7 31.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.878 0.371 . . . . 0.0 110.931 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 t -74.41 153.32 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.13 144.83 51.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.557 ' CD1' ' HA ' ' A' ' 48' ' ' SER . 5.4 m-85 -103.96 137.22 42.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -123.45 138.66 54.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.0 ttp-105 -104.12 112.84 26.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' ARG . 12.6 ptmm? -34.31 138.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.68 -53.44 4.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.506 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -57.41 146.66 28.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.952 0.406 . . . . 0.0 110.814 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.17 41.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.089 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -142.94 148.62 37.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.7 mt -100.77 170.19 8.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 97.1 m-85 -144.67 161.16 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.464 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.9 p -75.82 -40.7 54.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 31.9 t -154.08 153.98 32.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.523 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t -44.55 -29.36 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.5 m -54.69 -39.93 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.8 m -86.94 -53.88 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -39.26 -39.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.464 ' N ' HD23 ' A' ' 52' ' ' LEU . 44.4 t -87.32 -42.6 12.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 t -51.75 -48.12 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -44.06 -44.7 7.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.1 t -45.01 -59.48 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.7 t -59.75 -49.8 76.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.88 140.4 2.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 142.84 48.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.3 m -118.41 94.93 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -92.98 130.66 38.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.474 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -140.99 177.4 8.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -120.41 -55.04 2.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.37 -169.5 24.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.427 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 p -150.59 171.1 17.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 m -109.95 -62.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.13 -166.4 12.32 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 9' ' ' PRO . 39.0 tt0 -165.79 140.81 3.98 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.553 0.692 . . . . 0.0 110.938 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 8' ' ' GLN . 53.1 Cg_endo -69.8 168.93 20.19 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.2 p -136.15 157.17 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -144.99 156.39 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -118.87 111.58 18.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -118.8 160.07 22.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -109.86 94.42 5.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.1 mt -155.42 132.49 10.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -125.96 115.86 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.02 143.19 25.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.563 0.697 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 20' ' ' LYS . 53.9 Cg_endo -69.72 -163.84 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -127.58 52.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.076 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' CD ' ' HB2' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -155.61 173.58 16.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 52.3 mt -119.88 142.63 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 29' ' ' PRO . 5.8 p -134.47 171.14 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -75.7 134.63 40.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.45 15.85 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.436 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 6.3 t30 -126.31 -61.31 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.6 p -93.5 -16.92 23.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp 64.36 47.79 2.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 22' ' ' THR . 27.6 mtpt -99.43 148.49 34.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.579 0.704 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.517 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.78 97.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.405 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD21 ' HB3' ' A' ' 47' ' ' CYS . 14.0 mt -81.59 137.07 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -87.52 176.67 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -66.0 -49.78 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.87 -42.35 86.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -40.55 134.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.36 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.8 t -72.78 150.23 42.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -122.97 149.98 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.744 ' HB3' HD13 ' A' ' 52' ' ' LEU . 51.5 m-85 -121.41 121.59 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -118.19 152.67 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -110.37 143.08 41.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -47.49 151.18 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.99 55.68 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.516 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -165.2 141.31 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.32 42.17 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -126.06 131.5 52.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 HD22 ' HB1' ' A' ' 36' ' ' ALA . 55.7 mt -97.13 165.42 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 82.5 m-85 -142.42 156.39 45.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.2 p -75.71 -42.41 50.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 36.7 m -153.35 160.14 42.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 37' ' ' TYR . 40.2 p -45.1 -53.25 8.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 49' ' ' THR . 10.2 t -33.99 -41.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.436 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 59.2 m -85.4 -57.23 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -39.99 -40.32 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.948 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.533 ' N ' HD23 ' A' ' 52' ' ' LEU . 33.4 t -84.41 -49.98 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -46.62 -46.8 19.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.805 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -44.01 -47.49 8.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -51.53 140.28 18.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.5 m -59.25 -50.27 74.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.07 -167.5 51.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 95.71 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.224 . . . . 0.0 112.332 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.6 t -96.72 125.63 41.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 t -93.24 117.75 30.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -130.27 154.42 47.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.2 m -149.95 146.06 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.76 56.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 t -99.45 136.0 40.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -54.78 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.93 114.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -109.3 75.1 0.69 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.73 . . . . 0.0 110.9 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 174.82 8.96 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.3 t -80.48 143.11 33.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.6 178.24 8.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.29 175.79 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.607 ' NE2' ' H ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -71.47 -30.9 66.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.41 HE22 HG22 ' A' ' 16' ' ' THR . 5.0 pp0? -111.13 163.77 13.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 15' ' ' LEU . 3.4 pp -130.58 127.38 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 HG22 HE22 ' A' ' 14' ' ' GLN . 15.0 t -152.55 138.05 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -97.07 151.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.521 0.677 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 123.1 9.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.0 112.368 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.34 5.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -145.47 177.63 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.1 mt -122.6 141.74 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 p -130.36 145.76 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.0 t -53.87 136.17 40.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.65 17.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 5.8 t30 -124.95 -61.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.67 -15.66 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.95 48.41 3.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -102.88 146.26 32.08 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.45 0.75 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.643 2.229 . . . . 0.0 112.348 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD21 ' HB3' ' A' ' 47' ' ' CYS . 21.0 mt -77.7 154.52 32.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -119.02 155.86 30.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -49.97 -42.31 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.68 -43.52 98.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 168.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.8 t -100.88 160.03 14.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 45' ' ' LEU . . . -132.32 138.9 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 86.8 m-85 -117.03 125.95 52.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.685 ' HB2' HD23 ' A' ' 45' ' ' LEU . 47.6 tt0 -134.04 134.31 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.592 ' HG3' HD11 ' A' ' 52' ' ' LEU . 46.7 mtp180 -80.7 152.55 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.53 ' HZ2' ' H ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -59.19 123.35 16.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.39 -41.15 3.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 t -62.99 136.09 57.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -101.74 43.4 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -134.39 131.09 37.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.685 HD23 ' HB2' ' A' ' 38' ' ' GLN . 63.3 mt -94.31 167.93 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -143.83 160.41 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB3' HD21 ' A' ' 30' ' ' LEU . 21.6 p -82.02 -43.09 18.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 7.0 t -146.98 173.21 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.6 p -59.26 -40.34 85.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.3 m -45.76 -47.21 15.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 93.6 m -76.31 -44.79 35.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 39' ' ' ARG . 5.4 tp -44.17 -43.02 6.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.7 t -84.69 -53.22 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -43.29 -50.27 6.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -44.96 -44.32 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -60.22 133.13 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 82.4 p -120.75 42.31 3.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 169.01 146.33 4.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.38 13.28 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -53.58 151.98 5.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.8 t -109.53 -53.59 2.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 t -171.19 118.28 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -155.76 144.2 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.41 166.65 32.78 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 173.83 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -146.97 129.7 16.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.99 146.09 11.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -113.31 86.02 9.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' THR . 53.8 Cg_endo -69.72 8.27 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.385 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' PRO . 5.6 t -33.54 151.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -129.82 -61.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 64.36 43.14 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' NE2' ' HA ' ' A' ' 13' ' ' GLN . 2.8 tp60 -163.49 169.42 18.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 63.21 49.96 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.45 165.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.7 p -48.14 -46.38 34.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -153.66 154.19 29.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.539 0.685 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 155.32 66.07 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.644 2.229 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.25 -49.14 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' CD ' ' H ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -101.66 178.77 4.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.896 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.1 mt -116.69 136.77 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -141.33 138.76 33.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.0 t -38.66 138.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.1 18.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.6 t30 -129.6 -59.71 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.12 -16.62 21.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 mptt 64.59 47.38 2.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -99.05 142.93 25.46 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.559 0.695 . . . . 0.0 110.892 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 101.31 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 47' ' ' CYS . 13.1 mt -79.53 115.6 19.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -46.17 135.41 7.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -56.42 95.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.62 -45.64 1.07 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -42.22 136.3 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.9 m -50.21 142.15 10.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.9 143.79 50.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -91.02 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -150.35 127.48 11.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.418 ' CG ' HD11 ' A' ' 52' ' ' LEU . 50.9 mtm180 -84.75 174.81 9.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -78.99 118.26 20.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.51 -51.35 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 t -62.41 110.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.89 44.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.6 m170 -121.98 155.34 35.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.7 mt -122.05 167.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 52' ' ' LEU . 91.9 m-85 -144.04 160.82 40.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HB3' HD21 ' A' ' 30' ' ' LEU . 15.5 p -85.66 -33.39 21.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.0 t -161.92 148.45 13.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 50' ' ' THR . 69.1 p -37.85 -52.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.091 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 49' ' ' THR . 86.7 m -33.51 -43.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.7 m -79.81 -46.58 16.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD12 ' CE2' ' A' ' 46' ' ' PHE . 4.6 tp -45.68 -41.66 10.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.3 t -82.85 -49.06 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -46.14 -49.5 16.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -45.05 -52.23 9.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.6 t -44.99 -44.48 9.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.4 t -86.31 85.83 7.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.74 -70.68 1.33 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 162.19 43.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.1 m -74.65 141.32 44.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -107.92 99.23 8.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.48 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -166.83 111.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 m -152.65 162.87 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.55 117.22 1.9 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -141.4 112.47 7.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.915 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -138.65 171.29 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.56 55.39 1.67 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.495 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -115.04 81.11 7.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.603 0.716 . . . . 0.0 110.931 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 121.12 7.82 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 81.4 p -149.04 124.02 10.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.56 142.33 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.34 102.97 7.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -161.85 161.86 29.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -142.44 153.65 43.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -175.02 158.7 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' LYS . 15.0 t -50.96 142.67 11.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' THR . 5.8 ptpp? -34.82 150.7 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 103.63 1.19 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.248 . . . . 0.0 112.315 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.48 -57.1 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.111 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -139.03 151.1 46.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -135.71 137.5 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.495 HG22 ' HA ' ' A' ' 29' ' ' PRO . 4.4 p -143.95 152.45 41.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -58.3 136.84 57.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.71 17.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.0 t30 -127.38 -61.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.7 p -93.09 -15.03 26.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt 62.07 46.5 6.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mttm -97.95 144.46 28.07 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.52 0.676 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.9 Cg_endo -69.76 95.18 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.636 2.224 . . . . 0.0 112.4 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' ' 47' ' ' CYS . 12.9 mt -75.09 150.43 38.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -116.13 148.06 40.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -47.52 -28.58 2.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.461 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . -73.19 -43.93 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -63.96 172.58 2.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 95.7 m -112.92 138.68 49.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.71 50.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.042 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.559 ' CZ ' HG23 ' A' ' 49' ' ' THR . 53.0 m-85 -94.1 149.55 21.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HB2' HD23 ' A' ' 45' ' ' LEU . 54.1 tt0 -149.7 148.44 29.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' LYS . 33.1 mtm180 -91.9 117.55 29.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 39' ' ' ARG . 2.2 mmmp? -34.06 112.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.99 46.71 6.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.2 p -138.33 176.49 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -118.23 -41.43 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -63.63 139.79 58.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.835 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.404 HD23 ' HB2' ' A' ' 38' ' ' GLN . 33.7 mt -111.03 171.0 7.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -145.79 157.6 43.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' HB3' HD21 ' A' ' 30' ' ' LEU . 20.2 p -82.9 -44.95 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.5 m -143.23 179.23 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.559 HG23 ' CZ ' ' A' ' 37' ' ' TYR . 20.1 p -68.21 -35.87 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.3 t -50.24 -37.94 38.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.1 m -85.01 -52.51 5.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 7.6 tp -34.95 -48.83 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.6 t -78.19 -51.25 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.7 t -42.72 -49.61 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -44.02 -49.62 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -116.46 81.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -121.83 -49.78 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.78 -158.11 1.92 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 84.76 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.9 p -175.05 125.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.7 p -136.61 140.77 43.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.471 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -171.0 164.94 7.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m -147.33 172.65 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.57 165.3 33.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -172.17 168.21 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.3 p -156.28 168.45 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.26 159.96 8.27 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -146.72 129.22 7.8 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.604 0.716 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 173.34 11.15 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -120.16 162.77 18.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.27 145.3 4.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.92 165.19 11.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.93 138.73 53.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -133.04 160.58 36.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mp -82.24 108.48 15.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.0 p -130.93 111.98 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.43 150.32 39.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.587 0.708 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.546 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.83 170.86 15.66 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 18' ' ' PRO . . . 74.46 40.56 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 tptm -168.38 144.97 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.6 mt -126.09 135.31 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 29' ' ' PRO . 3.5 p -141.33 159.89 41.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 54.1 t -64.89 133.58 52.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.23 15.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 4.8 t30 -124.02 -60.1 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 19.8 p -95.41 -19.43 19.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 67.83 47.99 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -101.86 143.44 26.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HA ' HG22 ' A' ' 22' ' ' THR . 53.8 Cg_endo -69.76 94.78 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 47' ' ' CYS . 32.0 mt -65.46 123.39 19.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' LYS . 29.9 mt-30 -75.21 118.95 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' GLN . 30.4 tptt -33.96 130.82 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.63 -42.91 1.84 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' C ' ' CD ' ' A' ' 34' ' ' GLN . 3.1 pp0? -48.23 172.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.6 m -104.24 131.59 51.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.61 157.79 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.42 ' HB3' HD13 ' A' ' 52' ' ' LEU . 11.1 m-85 -117.13 128.12 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -119.49 134.35 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.683 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.3 mmp_? -92.22 155.89 17.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -64.5 143.3 58.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 56.08 40.94 84.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -158.6 132.38 7.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.47 44.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -123.04 121.72 36.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.809 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.9 mt -89.61 168.08 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.623 ' CD2' HD12 ' A' ' 52' ' ' LEU . 70.5 m-85 -140.12 149.18 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HB3' HD21 ' A' ' 30' ' ' LEU . 16.3 p -74.4 -32.11 62.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.1 t -167.56 154.86 8.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' THR . 74.7 p -40.02 -52.97 2.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' THR . 4.8 t -33.66 -38.75 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 68.2 m -89.88 -49.64 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.683 HD11 ' HG2' ' A' ' 39' ' ' ARG . 7.9 tp -34.51 -49.82 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.4 p -78.21 -45.34 23.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.9 t -42.9 -47.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -46.12 -57.01 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.2 m -43.71 -62.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' GLY . 4.8 m -60.23 99.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' SER . . . -35.67 138.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.97 4.34 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.4 p -72.34 -55.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.2 m -67.67 162.35 23.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.504 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -158.92 166.93 30.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -136.15 170.83 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -170.81 20.62 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.45 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -169.7 129.89 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -101.74 148.98 24.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.86 -154.5 24.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.517 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -129.45 149.62 73.33 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.5 14.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 11' ' ' ALA . 73.7 p -137.48 125.42 22.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.136 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 10' ' ' THR . . . -34.31 137.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -173.3 150.25 1.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -137.1 136.56 38.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.08 141.6 36.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.9 mt -99.86 -54.56 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.4 m -70.92 128.47 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -124.01 151.16 64.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.588 0.708 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 82.51 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.355 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.13 -47.68 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.87 -179.36 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mm -143.35 145.44 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 p -132.73 156.4 47.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.7 t -59.56 135.11 57.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.38 17.03 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.433 ' CB ' ' HB3' ' A' ' 51' ' ' CYS . 7.1 t30 -128.52 -59.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.4 p -94.83 -15.39 23.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 63.26 48.57 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -102.61 148.3 35.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.37 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.2 mt -77.49 111.46 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -60.23 161.22 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -48.41 -56.05 9.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.43 -40.55 91.36 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -40.25 110.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.946 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.3 t -60.66 166.1 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.55 149.87 52.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.513 ' CE1' ' HA ' ' A' ' 48' ' ' SER . 2.2 m-85 -112.4 128.38 56.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 43' ' ' ALA . 15.1 tt0 -124.78 161.34 26.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -115.22 176.51 5.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -70.02 138.84 52.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.43 47.83 43.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.0 p -144.47 155.23 43.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.435 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . . . -111.4 -42.8 3.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.1 m170 -51.94 136.01 29.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 91.9 mt -101.0 174.21 6.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 52' ' ' LEU . 94.0 m-85 -143.73 156.06 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 48' ' ' SER . 15.9 p -71.64 -45.28 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 40.1 t -148.65 151.6 35.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.401 ' HB ' ' CE2' ' A' ' 37' ' ' TYR . 8.4 t -43.26 -24.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.148 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -59.47 -42.08 91.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 25' ' ' ASN . 56.9 m -83.72 -41.8 17.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -51.53 -32.05 26.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.433 ' N ' HD23 ' A' ' 52' ' ' LEU . 59.4 p -95.65 -47.18 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.8 m -50.78 -42.66 58.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -44.25 -49.87 9.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -55.5 127.91 31.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 7.9 t -79.52 47.92 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.24 167.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.33 5.83 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.0 p -90.04 148.73 22.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -159.09 164.06 35.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_