data_2elh_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 2elh _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 ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.824 0.26 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' HIS . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' TRP . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.795 0.248 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.445 ' CG1' HG23 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 HG23 ' CG1' ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' LYS . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.455 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.827 0.261 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' ALA . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' LYS . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.798 0.249 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' HIS . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' ALA . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.473 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' C ' HD13 ' A' ' 65' ' ' LEU . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASP . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.818 0.257 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' ALA . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' GLN . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.435 ' CD1' HG23 ' A' ' 50' ' ' VAL . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 48' ' ' ILE . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.468 ' NE1' ' HE3' ' A' ' 28' ' ' LYS . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.789 0.245 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' HIS . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' ALA . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CD1' HG22 ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 48' ' ' ILE . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.557 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' N ' ' HE3' ' A' ' 68' ' ' MET . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.464 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.8 0.25 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ALA . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB3' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD11 ' CE3' ' A' ' 58' ' ' TRP . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.823 0.259 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ALA . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' A' ' 48' ' ' ILE . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD12 ' CE3' ' A' ' 58' ' ' TRP . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 28' ' ' LYS . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' TRP . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.778 0.241 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 7.5 m170 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CG1' HG22 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' CG1' ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.41 ' C ' HD11 ' A' ' 65' ' ' LEU . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.778 0.241 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' ALA . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG1' HG22 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 ' CG1' ' A' ' 48' ' ' ILE . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.565 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.763 0.235 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.489 ' CD ' ' CD2' ' A' ' 30' ' ' HIS . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' CD ' ' A' ' 26' ' ' ARG . 3.6 m170 -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CD ' ' OE2' ' A' ' 52' ' ' GLU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.452 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.8 0.25 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.771 0.238 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' HIS . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.1 m170 -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ALA . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 55' ' ' LEU . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 41' ' ' LYS . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.238 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ALA . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.435 ' CG1' HG23 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' CG1' ' A' ' 48' ' ' ILE . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.46 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.777 0.24 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 HG23 ' CD ' ' A' ' 41' ' ' LYS . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CD ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.771 0.238 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CB ' HG23 ' A' ' 44' ' ' VAL . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 34' ' ' ARG . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.828 0.262 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 50' ' ' VAL . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' A' ' 48' ' ' ILE . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 58' ' ' TRP . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.418 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.833 0.264 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' ALA . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' CG1' HG23 ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.237 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 31' ' ' ALA . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 ' CD ' ' A' ' 41' ' ' LYS . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 50' ' ' VAL . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 48' ' ' ILE . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ARG . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ASP . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -157.76 129.85 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -141.07 164.71 29.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.91 65.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -101.74 40.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -61.48 -49.72 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.3 155.43 5.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.51 132.88 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.02 78.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.8 150.24 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -98.66 80.5 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ttm -76.95 174.02 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.42 163.76 3.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.6 p -76.11 51.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -168.79 132.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.73 143.87 8.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.86 50.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.75 150.68 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 177.05 6.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -123.42 134.66 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -46.37 -45.16 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -65.59 152.39 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -112.39 167.47 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -83.42 152.94 65.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.66 34.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.51 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 30' ' ' HIS . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG1' ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' CG1' HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.51 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 58' ' ' TRP . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.456 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 -47.21 -52.82 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -147.31 146.88 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -144.25 133.79 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.46 -60.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -173.24 161.96 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -97.55 83.56 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -128.4 44.33 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.65 132.36 13.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.3 p -73.33 124.86 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.49 -57.06 10.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -127.88 173.21 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.46 155.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mp -42.43 153.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.34 -100.26 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -69.28 169.46 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.48 139.07 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.0 tpt -107.34 101.88 11.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 m -89.59 41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.3 p 35.51 41.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.789 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 -121.66 1.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -167.92 140.24 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -164.88 174.45 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 140.98 37.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -171.2 172.87 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 50.28 48.54 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.02 132.8 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 1.3 mpp_? -101.06 91.42 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.9 mtp -112.41 124.07 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.26 94.05 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 m -102.18 -8.26 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 111.192 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -54.6 171.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 137.07 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -103.38 160.53 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.18 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.38 14.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.42 8.31 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.9 ttt85 -42.3 127.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.9 t -35.84 134.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.03 140.59 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -84.11 149.51 56.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.09 32.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.445 ' CG1' HG23 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 HG23 ' CG1' ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' A' ' 60' ' ' LYS . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.455 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -54.22 -51.23 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -171.46 138.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.4 p -120.29 107.91 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.74 -61.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 m 69.13 39.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.61 108.87 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -45.65 115.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -144.72 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.7 t -119.0 152.18 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.23 160.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.22 172.33 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.45 136.02 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 tt -42.69 142.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.43 143.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.03 177.04 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 67.3 42.21 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 tpt -85.67 41.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p 46.69 42.26 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -85.18 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.69 85.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -169.1 126.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -164.67 168.77 17.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 161.43 -168.58 36.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.9 ptm 34.48 39.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -111.74 105.83 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 pt -101.35 121.33 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.84 131.27 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.74 -52.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.17 34.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.4 m -78.59 106.81 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -171.33 144.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.15 80.42 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -110.27 146.45 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.4 148.23 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.21 14.91 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 mt -98.87 175.04 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 57.94 44.67 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -117.15 166.91 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 pp -134.65 165.69 24.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.7 p -102.94 153.02 38.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.612 0.72 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.78 17.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ASP . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' ALA . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.417 ' CG1' ' HB2' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' ASP . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' LYS . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -47.25 -46.0 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.25 108.9 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -55.82 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.49 90.67 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -74.58 -47.21 33.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.43 -49.57 13.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 49.87 42.2 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp 51.97 41.25 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.3 p -66.4 172.63 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.17 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.38 171.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 85.88 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 82' ' ' LEU . 4.1 mm? -78.21 45.97 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 153.02 10.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.34 125.2 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -105.7 122.69 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -84.91 -43.47 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -154.21 168.47 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -157.45 151.57 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.61 70.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.12 -52.21 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -41.0 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 88.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mtt -131.42 174.35 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -150.65 164.98 34.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.44 141.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -115.08 145.0 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.8 146.6 28.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.31 164.86 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.2 p -130.53 105.03 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -172.31 142.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.79 143.48 9.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -112.94 177.3 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -107.39 151.27 40.84 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.85 52.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.82 168.24 10.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -54.94 -60.42 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -78.76 100.05 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.04 164.23 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -106.9 152.26 40.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.6 28.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 30' ' ' HIS . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' ALA . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.406 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.473 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' C ' HD13 ' A' ' 65' ' ' LEU . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' ASP . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -60.25 -52.12 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -74.02 87.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 m -55.99 -54.7 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.48 159.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 t -68.25 136.95 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -155.61 176.27 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -149.61 148.29 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -46.82 174.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.6 p -158.1 169.74 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.54 144.18 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -174.91 135.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.17 131.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.59 172.44 13.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.9 144.82 17.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -146.92 173.39 12.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -171.61 174.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.09 105.28 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -158.6 154.53 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -151.77 154.35 36.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.63 163.47 33.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -138.99 174.88 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 50.42 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.34 -172.57 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -127.8 47.18 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 9' ' ' ASN . 3.6 p30 -108.76 115.23 29.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' CG2' ' H ' ' A' ' 11' ' ' ARG . 2.3 mm -117.18 179.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 11' ' ' ARG . 7.7 ptm180 -123.54 113.0 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -140.87 145.0 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.87 171.04 38.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 40.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.43 107.59 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.7 -40.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 79' ' ' ALA . 17.5 mmmt 58.19 39.6 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -78.97 156.71 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.39 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.9 mt -92.0 8.08 39.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 59.29 39.63 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 p -61.89 163.64 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.3 167.15 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -107.49 151.69 41.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 31' ' ' ALA . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' GLN . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.435 ' CD1' HG23 ' A' ' 50' ' ' VAL . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' CD1' ' A' ' 48' ' ' ILE . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.468 ' NE1' ' HE3' ' A' ' 28' ' ' LYS . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -45.13 -42.79 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' SER . 38.1 mt-30 -43.41 160.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' GLN . 3.1 m -37.25 125.73 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' THR . . . -94.26 -60.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' ALA . 23.5 m -34.2 119.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -45.67 130.03 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' ND2' ' HB3' ' A' ' 78' ' ' CYS . 6.1 p-10 -130.06 156.34 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.9 pp -75.17 -35.36 61.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.456 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 4.5 t -64.23 143.37 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' O ' ' NZ ' ' A' ' 17' ' ' LYS . . . -161.31 122.54 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.28 152.48 36.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.1 118.91 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.05 -74.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.73 136.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.14 138.85 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 86' ' ' MET . 38.1 tptt -129.81 160.42 33.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ASP . 9.5 mmt -80.73 13.03 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' MET . 22.5 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -84.9 87.02 7.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -40.82 -55.49 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 169.45 13.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -174.2 173.11 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -173.18 152.03 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.45 174.6 43.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.45 163.92 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -113.99 83.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -126.34 139.43 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 149.16 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.0 ttt -160.03 131.2 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.39 89.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.27 108.46 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.35 122.02 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.22 155.59 12.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -142.75 115.46 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -136.1 150.06 70.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.842 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.22 2.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.19 108.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -79.79 121.2 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.4 p -39.59 129.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.08 148.35 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -82.77 153.91 67.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.698 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -23.13 31.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 30' ' ' HIS . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 31' ' ' ALA . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' CD1' HG22 ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 48' ' ' ILE . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.483 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.557 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' N ' ' HE3' ' A' ' 68' ' ' MET . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.464 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -47.87 -41.77 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.07 139.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ALA . 60.9 m -101.9 -58.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -34.65 126.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.3 m 70.19 53.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.53 170.28 16.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -94.71 -176.37 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mp -46.31 137.83 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.16 -41.0 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . 53.89 42.27 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' ALA . 4.9 t70 -34.69 115.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.44 176.97 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' GLY . 9.9 tp -107.95 -53.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' LEU . . . 37.48 -105.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.77 148.3 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -71.35 162.44 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 25.8 ttp -125.05 110.8 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -149.47 130.88 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -164.29 172.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.39 130.43 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -164.0 163.3 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -129.79 153.59 48.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.71 166.6 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.85 -45.55 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -50.79 -177.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 ' CD1' ' O ' ' A' ' 10' ' ' ILE . 2.7 pp -83.43 135.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 175.33 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -147.85 144.83 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.43 -121.7 3.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -92.54 56.82 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.128 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -68.12 164.65 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.21 59.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -123.27 109.21 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 146.98 47.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.19 66.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.24 166.14 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -98.16 -50.63 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -69.03 132.1 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -88.76 149.87 23.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 p -69.93 149.41 96.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -31.33 20.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -49.01 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.32 97.63 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -49.75 -45.74 49.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.93 135.71 51.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.1 t -149.25 140.75 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.85 134.31 34.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -81.2 122.13 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.6 tp -106.4 100.93 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.37 94.88 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.15 147.97 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -169.59 161.5 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -171.42 122.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -149.5 169.44 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.06 161.8 28.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -171.0 159.57 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -134.13 149.28 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ttt -62.68 -56.74 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -66.99 -51.72 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -114.17 115.41 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.36 -137.68 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.7 p 36.46 41.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -105.99 125.99 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.53 106.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' ASN . 60.6 mmm -147.51 130.26 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' CG ' ' O ' ' A' ' 8' ' ' MET . 19.7 m120 -167.12 156.9 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.45 58.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.47 154.33 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.15 131.41 2.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 86.4 m -109.13 101.1 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -34.49 124.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.57 46.9 1.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.35 136.99 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -39.93 143.99 0.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 101.45 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.41 108.89 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -54.04 -30.55 48.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 p -79.25 137.38 37.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.09 -179.74 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 p -114.54 153.53 46.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.189 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.8 31.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ALA . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB3' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD11 ' CE3' ' A' ' 58' ' ' TRP . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.515 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 63' ' ' ASP . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 -68.36 -45.94 71.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' MET . 51.2 mm-40 -77.23 86.55 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 m -51.94 93.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -130.03 -175.6 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -129.86 133.73 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -138.18 160.98 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -110.25 157.18 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.8 137.64 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 t -104.67 148.74 26.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -167.92 -177.44 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -37.26 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 79' ' ' ALA . . . -166.05 144.76 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.33 144.41 28.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.43 96.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 130.64 47.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -130.88 118.29 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -79.73 -33.76 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 87' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -98.8 150.48 21.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.29 -62.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 148.83 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -159.79 142.57 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -157.39 164.53 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.74 175.97 17.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mtp -149.67 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -153.09 114.56 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.12 111.2 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -104.66 78.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.09 149.68 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.1 128.63 8.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -84.12 -9.71 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 139.22 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.57 70.15 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -141.73 118.14 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 148.46 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.57 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -102.47 3.21 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -39.32 -41.77 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.5 t -168.71 168.05 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.8 -175.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 p -91.39 155.68 44.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.38 30.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 31' ' ' ALA . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.436 HG13 ' CD1' ' A' ' 48' ' ' ILE . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD12 ' CE3' ' A' ' 58' ' ' TRP . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.535 ' CZ3' ' HG2' ' A' ' 28' ' ' LYS . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' TRP . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -33.06 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -104.07 111.94 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -65.33 95.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.16 150.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.8 m -107.32 119.15 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -123.42 107.42 11.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.46 -24.73 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.87 169.84 6.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.2 159.32 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.14 -48.14 8.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -169.2 150.33 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.96 128.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -140.85 156.3 46.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.71 83.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -131.19 65.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ttt 48.67 39.65 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -157.24 175.79 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -130.06 171.56 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -158.97 7.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -144.0 171.02 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -142.6 162.63 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.72 54.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mmm -145.21 122.0 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.82 109.85 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.3 mt -117.77 127.93 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.06 124.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -146.85 124.99 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -177.29 -50.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' GLY . 70.5 p 34.66 38.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 111.152 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -52.41 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -60.1 -46.73 93.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.428 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.7 ptpt 35.4 50.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 156.23 58.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.52 35.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 tp -145.38 175.67 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -83.12 37.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -140.6 141.24 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.63 -178.67 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.22 159.84 70.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 7.5 m170 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CG1' HG22 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' CG1' ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.41 ' C ' HD11 ' A' ' 65' ' ' LEU . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -68.46 -46.14 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -70.48 99.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' ALA . 5.7 t -116.24 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' SER . . . 36.61 41.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 t -104.34 139.28 39.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.4 82.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -104.22 119.6 39.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 tt -166.69 127.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 74.6 m -148.19 149.49 32.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.28 94.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -145.69 171.14 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.01 133.8 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.82 145.98 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.0 -129.58 2.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -166.78 145.37 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -93.58 153.31 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.9 ptm -118.28 103.37 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -88.95 175.07 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -75.07 -43.05 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.73 101.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -147.83 145.09 28.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -124.93 161.84 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.56 -116.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt 56.44 40.87 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.81 -43.36 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -39.11 128.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 159.3 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.21 163.54 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 150.68 20.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -103.14 101.43 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 168.04 20.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.99 -143.61 9.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -149.04 128.75 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -91.17 148.08 37.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.45 157.43 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 52.56 44.19 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m -157.93 159.02 36.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -115.9 164.31 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 p -93.88 154.97 40.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.82 10.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' ALA . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 ' CG1' HG22 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 HG22 ' CG1' ' A' ' 48' ' ' ILE . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.565 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' LYS . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 63' ' ' ASP . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.411 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -42.99 -33.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -127.02 156.86 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.4 m -139.63 127.38 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.38 173.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 m -59.0 101.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.47 150.45 27.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -145.65 143.1 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -92.14 162.15 14.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 t -94.72 -59.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.96 148.72 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.19 -15.44 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.32 139.08 37.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -98.58 -46.21 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.31 78.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 p30 -127.96 168.62 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -155.35 145.23 21.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 tpp -126.74 97.34 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -149.71 139.22 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -160.99 161.82 31.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -154.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -156.97 156.9 33.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -134.47 175.32 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.99 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -126.33 172.77 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -93.39 113.98 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.77 162.3 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -144.03 134.18 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -121.1 178.12 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.89 64.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -115.01 107.64 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -165.29 142.29 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.03 176.5 25.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.28 -179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.75 147.39 78.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 166.66 26.85 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.97 151.26 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.83 84.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.2 p -171.54 125.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.26 129.7 42.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -73.17 150.71 90.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -12.52 33.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' CD ' ' CD2' ' A' ' 30' ' ' HIS . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' CD ' ' A' ' 26' ' ' ARG . 3.6 m170 -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' CD ' ' OE2' ' A' ' 52' ' ' GLU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 ' CG1' HG23 ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.552 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.452 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -47.71 -45.45 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 72' ' ' SER . 71.4 mm-40 -65.97 77.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' GLN . 30.8 m 34.68 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.95 40.44 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.9 t -154.05 127.7 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.6 85.63 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -136.28 111.33 8.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -88.98 -35.0 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.1 m -62.54 161.66 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -36.01 130.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -127.62 41.85 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.9 41.86 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 82' ' ' LEU . 4.3 mm? -54.57 147.03 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.77 166.28 39.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.96 118.08 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -70.3 164.94 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -68.59 82.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -99.77 121.33 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -173.6 176.78 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 105.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -149.68 162.17 40.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.824 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -134.75 154.17 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -156.04 -50.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.4 tpt -36.8 129.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -103.4 117.51 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -85.36 125.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -127.69 113.36 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mmt -80.55 177.21 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.79 159.02 17.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.9 p -71.98 89.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -89.19 38.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.04 118.69 1.5 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 -31.42 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.44 144.36 4.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.705 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.39 69.17 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' C ' HD13 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.56 171.37 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 36.71 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -164.93 122.32 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.92 110.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 p -66.01 155.11 88.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.14 37.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.33 -54.53 14.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -145.87 132.45 19.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -151.46 167.89 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.72 113.46 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.2 m -48.65 137.61 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -146.67 161.18 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.85 175.4 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mp 46.65 45.97 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 20.2 p -75.57 73.63 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.95 131.99 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -140.75 150.07 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.74 160.29 14.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tp -109.02 -59.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.06 149.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -144.98 175.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -101.17 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmm -102.66 98.41 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -158.35 159.07 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -91.11 -60.02 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 101.58 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -145.36 155.45 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -138.18 147.66 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 87.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -126.43 42.13 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -102.82 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.51 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -137.94 153.84 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.581 ' H ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -86.67 36.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' THR . 17.2 ttp -34.81 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.05 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' MET . 25.5 m -40.79 104.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -47.78 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.48 -141.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.0 143.67 31.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.0 157.74 34.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.37 60.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.68 1.28 30.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.71 -49.29 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -75.12 114.57 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.38 149.23 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 p -91.88 148.44 37.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.27 37.01 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 30' ' ' HIS . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.1 m170 -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 31' ' ' ALA . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 55' ' ' LEU . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 41' ' ' LYS . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 -45.24 -52.47 9.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -125.51 129.33 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -125.52 142.4 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.41 171.12 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -87.73 -15.33 37.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -99.01 125.02 44.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -128.65 171.28 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.43 88.79 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.54 150.75 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.28 138.77 51.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.469 ' CB ' ' CD2' ' A' ' 82' ' ' LEU . 14.5 m-20 -68.06 -9.99 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.82 46.45 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.469 ' CD2' ' CB ' ' A' ' 80' ' ' ASP . 4.2 mm? -80.87 154.61 26.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.03 3.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -153.16 159.94 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -130.15 151.29 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.0 ttp -114.49 36.35 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.15 174.7 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -123.77 169.01 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.98 175.39 39.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -165.78 105.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -125.94 151.68 46.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.99 113.98 3.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.8 mtt -146.76 108.91 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -151.12 132.84 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 mp -94.72 139.45 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -147.57 119.17 7.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.0 ttm -127.47 -43.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.04 106.97 2.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -89.5 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -119.54 146.79 45.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -64.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -149.55 -176.7 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 147.42 38.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 158.13 58.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.54 179.88 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -41.96 -59.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 t -69.23 144.96 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.75 178.55 7.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -138.59 152.2 70.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo -69.77 -25.67 28.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' C ' ' O ' ' A' ' 31' ' ' ALA . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.435 ' CG1' HG23 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG23 ' CG1' ' A' ' 48' ' ' ILE . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.512 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.46 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -49.99 -52.31 34.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -87.03 175.81 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 t -120.01 41.33 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.76 84.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t -94.48 40.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -122.01 -48.89 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.61 -24.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.91 -179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.6 p -171.78 163.02 6.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.25 165.43 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.15 167.75 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.06 112.12 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -110.36 157.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.18 58.66 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -74.56 129.14 37.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 86' ' ' MET . 9.4 tmtt? -71.29 139.98 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 85' ' ' LYS . 16.6 ttp -35.06 -48.66 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.05 171.46 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -144.58 127.29 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -137.45 3.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.539 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.83 152.77 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.35 -49.29 23.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.9 172.6 45.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 11' ' ' ARG . 18.5 tpp -124.34 116.14 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' ILE . 74.5 m-20 -127.79 171.6 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' ASN . 19.4 pt 33.96 53.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 8' ' ' MET . 22.5 mmm-85 -132.24 49.56 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 tpt -159.19 133.0 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.84 -54.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 p 41.84 40.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -106.74 41.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.74 84.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -45.98 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -175.06 155.31 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.71 19.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.53 8.64 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' SER . 12.2 mtt85 -91.91 30.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ARG . 69.2 m 36.99 43.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -41.01 149.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -102.14 153.5 38.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.61 23.47 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.554 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 HG23 ' CD ' ' A' ' 41' ' ' LYS . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' CD ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 63' ' ' ASP . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -44.55 -39.78 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 5.5 mt-30 -92.7 109.32 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -65.22 90.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.81 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.05 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -101.84 39.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.97 -49.14 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.17 131.71 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.79 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.3 m -111.69 -42.26 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 171.49 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -89.75 89.22 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.99 152.87 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.29 -51.56 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.66 179.03 52.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -120.17 96.6 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -88.03 82.25 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.79 40.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.91 159.32 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -150.37 155.32 39.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.76 139.73 4.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -149.29 134.04 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -169.29 148.69 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.03 69.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.26 42.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -121.25 -42.59 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mp -45.14 125.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -125.99 177.07 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.11 10.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 170.97 44.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -47.57 106.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -166.14 170.19 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.71 73.41 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -54.49 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -137.72 145.36 48.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.6 62.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.49 127.61 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -47.01 -31.05 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -79.74 129.35 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.79 160.68 26.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 p -79.25 155.45 76.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -35.42 12.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CB ' HG23 ' A' ' 44' ' ' VAL . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 34' ' ' ARG . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 71' ' ' GLN . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -59.26 -46.54 88.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 71.3 tp60 -63.62 84.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -99.7 86.19 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.61 -60.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -113.08 105.82 13.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.0 160.27 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.5 t30 60.87 29.47 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.31 147.04 41.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.3 p -174.34 126.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 42.56 43.9 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.44 171.36 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.33 128.82 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' CD1' ' C ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -114.95 133.22 56.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 129.94 83.49 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -122.71 37.69 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -73.67 99.75 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.6 tpt -67.52 -56.57 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -165.44 153.11 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -158.27 171.93 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.54 -45.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -46.04 113.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -111.6 137.26 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.58 132.36 11.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -68.97 114.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -129.24 82.18 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 pt -137.66 173.23 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -114.85 121.15 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmt -118.7 171.21 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.53 127.11 4.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -139.52 106.71 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.175 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' CG ' ' HE2' ' A' ' 17' ' ' LYS . 8.5 ttpp 50.33 35.37 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.68 -60.55 2.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HE2' ' CG ' ' A' ' 15' ' ' LYS . 47.4 mttm 51.95 54.48 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -47.32 143.91 4.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.0 11.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 20' ' ' LEU . 1.2 pt? -116.74 -177.06 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -58.46 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -79.12 113.45 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.69 167.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -119.41 151.43 51.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.61 36.98 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' CD1' HG22 ' A' ' 50' ' ' VAL . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.444 HG22 ' CD1' ' A' ' 48' ' ' ILE . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 58' ' ' TRP . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.418 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -51.15 -50.93 57.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -42.06 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t -113.08 95.53 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.33 169.27 8.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.0 137.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -143.08 137.53 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -139.08 144.71 38.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -145.27 106.52 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.57 166.8 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.8 121.91 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.25 171.35 14.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.49 82.9 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -71.81 -46.74 57.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.89 126.37 21.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -154.79 176.15 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -172.7 142.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 2.5 ptt? -82.22 -43.25 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' N ' ' HG3' ' A' ' 86' ' ' MET . 2.6 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -71.02 176.79 4.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -127.93 -61.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.64 169.08 41.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -84.11 174.3 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -140.15 121.07 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 112.08 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mmm -67.53 -46.22 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 49.0 m-80 -125.27 -58.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' ASN . 12.2 mm 35.61 48.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -111.86 92.65 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 tpp -101.28 143.93 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.82 108.95 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 m -130.1 98.8 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -82.96 170.03 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.58 -127.76 6.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -149.79 175.65 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -138.62 150.18 65.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 179.0 4.05 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 21' ' ' ARG . 2.3 pp -46.54 157.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 20' ' ' LEU . 1.7 tpp85 -169.33 122.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' ARG . 58.9 p -35.6 136.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.75 -176.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -126.51 150.0 69.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -27.69 26.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 31' ' ' ALA . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 33' ' ' GLN . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' CG1' HG23 ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.503 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -51.19 -46.39 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.06 -55.79 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -81.44 46.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.16 -60.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -116.11 135.83 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -64.67 142.93 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -135.51 120.7 18.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.77 44.92 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.6 m -150.22 116.39 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.04 108.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.29 149.12 52.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 34.33 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -110.12 140.87 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.69 -45.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -99.8 105.91 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -81.7 135.86 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -46.39 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.72 168.25 27.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.02 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.2 -152.92 5.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -161.02 155.49 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -156.54 174.09 15.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.69 121.88 6.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' HG3' ' N ' ' A' ' 9' ' ' ASN . 3.7 ptt? -71.49 -41.21 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' N ' ' HG3' ' A' ' 8' ' ' MET . 10.2 t30 -171.51 167.75 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.48 136.32 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' NH2' ' CG2' ' A' ' 14' ' ' THR . 17.3 tpt180 -110.39 140.73 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.05 -59.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.75 153.85 6.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' CG2' ' NH2' ' A' ' 11' ' ' ARG . 8.0 t -123.01 106.64 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 152.21 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.28 -50.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.64 175.72 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -142.03 143.98 30.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD12 ' C ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -113.17 165.73 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 58.9 41.5 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.4 p -80.92 163.53 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.72 176.13 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 p -113.46 155.97 43.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' ALA . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' ILE . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 31' ' ' ALA . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 ' CD ' ' A' ' 41' ' ' LYS . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' CD ' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 50' ' ' VAL . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 48' ' ' ILE . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ARG . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' ASP . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -45.26 -46.45 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -44.23 148.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.6 t -43.13 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.55 -60.18 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 m 55.88 44.02 26.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -117.39 105.37 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -56.54 131.37 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -143.41 170.99 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.25 154.34 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.66 124.19 45.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.59 41.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.44 100.6 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.19 140.2 52.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.1 162.83 13.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -160.9 176.2 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 86' ' ' MET . 0.2 OUTLIER -130.6 149.88 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.443 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 1.5 tpt -39.31 -54.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.824 0.26 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.667 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' ILE . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 29' ' ' ILE . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.789 HG21 ' HE3' ' A' ' 41' ' ' LYS . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 44' ' ' VAL . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.789 ' HE3' HG21 ' A' ' 35' ' ' ILE . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.71 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.795 0.248 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 65' ' ' LEU . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' HD2' ' A' ' 41' ' ' LYS . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.474 HD11 HG21 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.474 HG21 HD11 ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.792 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.473 ' SD ' HD23 ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.827 0.261 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' LEU . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.555 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.861 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.483 ' SD ' HD23 ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.798 0.249 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.558 ' HA ' HD12 ' A' ' 32' ' ' ILE . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HG3' ' A' ' 62' ' ' GLU . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.575 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 45' ' ' ALA . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.474 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 65' ' ' LEU . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.818 0.257 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 32' ' ' ILE . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 29' ' ' ILE . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HG3' ' A' ' 41' ' ' LYS . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 49' ' ' GLY . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' ALA . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.697 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.789 0.245 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HA ' HD12 ' A' ' 29' ' ' ILE . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 26' ' ' ARG . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 29' ' ' ILE . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 41' ' ' LYS . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' ALA . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 65' ' ' LEU . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 29' ' ' ILE . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 32' ' ' ILE . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 29' ' ' ILE . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 55' ' ' LEU . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 50' ' ' VAL . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.626 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 35' ' ' ILE . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 65' ' ' LEU . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 32' ' ' ILE . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.8 0.25 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 32' ' ' ILE . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 29' ' ' ILE . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 44' ' ' VAL . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 31' ' ' ALA . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' A' ' 45' ' ' ALA . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 65' ' ' LEU . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.823 0.259 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 32' ' ' ILE . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD3' HG22 ' A' ' 44' ' ' VAL . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.629 HD13 ' HD3' ' A' ' 41' ' ' LYS . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 44' ' ' VAL . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HD3' HD13 ' A' ' 35' ' ' ILE . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 35' ' ' ILE . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 45' ' ' ALA . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.604 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.778 0.241 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.3 m80 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.707 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD22 ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.778 0.241 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.758 ' HA ' HD12 ' A' ' 29' ' ' ILE . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ILE . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' LYS . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 44' ' ' VAL . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 35' ' ' ILE . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' HB1' ' A' ' 31' ' ' ALA . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.724 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 45' ' ' ALA . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.763 0.235 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD21 ' A' ' 55' ' ' LEU . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG2' HD23 ' A' ' 55' ' ' LEU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 35' ' ' ILE . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.937 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.8 0.25 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' A' ' 32' ' ' ILE . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.511 ' SD ' HD23 ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.771 0.238 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' HD22 ' A' ' 65' ' ' LEU . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 26' ' ' ARG . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 29' ' ' ILE . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.624 ' HG2' HG22 ' A' ' 44' ' ' VAL . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.82 HG12 HG21 ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.82 HG21 HG12 ' A' ' 35' ' ' ILE . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.654 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.63 HD11 HD11 ' A' ' 35' ' ' ILE . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.238 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 29' ' ' ILE . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.5 p-80 -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 62' ' ' GLU . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG11 ' HB1' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 32' ' ' ILE . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.777 0.24 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 32' ' ' ILE . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.721 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 29' ' ' ILE . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.721 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 65' ' ' LEU . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.771 0.238 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 HG11 ' A' ' 44' ' ' VAL . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 HG13 ' A' ' 35' ' ' ILE . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 65' ' ' LEU . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.828 0.262 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 65' ' ' LEU . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB3' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 41' ' ' LYS . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HA ' HD12 ' A' ' 65' ' ' LEU . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.833 0.264 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 32' ' ' ILE . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 29' ' ' ILE . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HD2' HG22 ' A' ' 44' ' ' VAL . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' CG2' ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.822 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 65' ' ' LEU . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 62' ' ' GLU . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.479 ' SD ' HD23 ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.237 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.792 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.492 HD12 HG12 ' A' ' 29' ' ' ILE . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.792 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 45' ' ' ALA . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.432 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -157.76 129.85 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -141.07 164.71 29.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.91 65.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -101.74 40.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -61.48 -49.72 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.3 155.43 5.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.51 132.88 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -113.02 78.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.8 150.24 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -98.66 80.5 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ttm -76.95 174.02 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.42 163.76 3.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.6 p -76.11 51.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -168.79 132.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.73 143.87 8.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.86 50.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.75 150.68 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 177.05 6.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -123.42 134.66 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -46.37 -45.16 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -65.59 152.39 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.8 pt? -112.39 167.47 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -83.42 152.94 65.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.66 34.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.667 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' ILE . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 29' ' ' ILE . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.789 HG21 ' HE3' ' A' ' 41' ' ' LYS . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 44' ' ' VAL . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.789 ' HE3' HG21 ' A' ' 35' ' ' ILE . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.71 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 -47.21 -52.82 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -147.31 146.88 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -144.25 133.79 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.46 -60.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -173.24 161.96 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -97.55 83.56 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -128.4 44.33 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.65 132.36 13.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.3 p -73.33 124.86 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.49 -57.06 10.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -127.88 173.21 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.46 155.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mp -42.43 153.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.34 -100.26 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -69.28 169.46 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.48 139.07 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.0 tpt -107.34 101.88 11.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 m -89.59 41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.3 p 35.51 41.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.789 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 -121.66 1.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -167.92 140.24 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -164.88 174.45 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 140.98 37.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -171.2 172.87 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 50.28 48.54 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.02 132.8 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -101.06 91.42 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.9 mtp -112.41 124.07 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.26 94.05 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' THR . 21.4 m -102.18 -8.26 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 111.192 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -54.6 171.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 137.07 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -103.38 160.53 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.18 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.38 14.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.42 8.31 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.9 ttt85 -42.3 127.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.9 t -35.84 134.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.03 140.59 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -84.11 149.51 56.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.09 32.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 65' ' ' LEU . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' HD2' ' A' ' 41' ' ' LYS . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.474 HD11 HG21 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG21 HD11 ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.792 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.473 ' SD ' HD23 ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -54.22 -51.23 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -171.46 138.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.4 p -120.29 107.91 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.74 -61.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 74' ' ' THR . 20.5 m 69.13 39.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.61 108.87 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -45.65 115.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -144.72 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.7 t -119.0 152.18 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.23 160.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.22 172.33 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.45 136.02 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 83' ' ' GLY . 1.9 tt -42.69 142.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.521 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -42.43 143.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.03 177.04 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 67.3 42.21 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 tpt -85.67 41.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p 46.69 42.26 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -85.18 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.69 85.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -169.1 126.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -164.67 168.77 17.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 161.43 -168.58 36.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.9 ptm 34.48 39.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -111.74 105.83 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 pt -101.35 121.33 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.84 131.27 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.74 -52.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.17 34.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.4 m -78.59 106.81 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -171.33 144.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.15 80.42 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -110.27 146.45 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.4 148.23 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.21 14.91 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 mt -98.87 175.04 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 57.94 44.67 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -117.15 166.91 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 ' C ' HD12 ' A' ' 23' ' ' LEU . 4.4 pp -134.65 165.69 24.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.7 p -102.94 153.02 38.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.612 0.72 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.78 17.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' LEU . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.555 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.861 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.483 ' SD ' HD23 ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -47.25 -46.0 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.25 108.9 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -55.82 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.49 90.67 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -74.58 -47.21 33.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.43 -49.57 13.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 49.87 42.2 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp 51.97 41.25 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.3 p -66.4 172.63 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.17 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.38 171.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 85.88 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 82' ' ' LEU . 4.1 mm? -78.21 45.97 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 153.02 10.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.34 125.2 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -105.7 122.69 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -84.91 -43.47 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -154.21 168.47 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -157.45 151.57 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.61 70.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.12 -52.21 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -41.0 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 88.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mtt -131.42 174.35 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -150.65 164.98 34.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.819 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -128.44 141.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -115.08 145.0 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.8 146.6 28.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.31 164.86 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.2 p -130.53 105.03 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -172.31 142.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.79 143.48 9.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -112.94 177.3 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -107.39 151.27 40.84 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.85 52.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.82 168.24 10.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -54.94 -60.42 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -78.76 100.05 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.04 164.23 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -106.9 152.26 40.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.6 28.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.558 ' HA ' HD12 ' A' ' 32' ' ' ILE . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HG3' ' A' ' 62' ' ' GLU . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.575 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 45' ' ' ALA . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.474 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 65' ' ' LEU . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -60.25 -52.12 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -74.02 87.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 m -55.99 -54.7 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.48 159.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 t -68.25 136.95 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -155.61 176.27 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -149.61 148.29 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -46.82 174.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.6 p -158.1 169.74 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.54 144.18 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -174.91 135.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.17 131.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.59 172.44 13.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.9 144.82 17.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -146.92 173.39 12.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -171.61 174.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.09 105.28 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -158.6 154.53 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -151.77 154.35 36.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.63 163.47 33.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -138.99 174.88 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 50.42 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.34 -172.57 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -127.8 47.18 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.554 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.6 p30 -108.76 115.23 29.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 11' ' ' ARG . 2.3 mm -117.18 179.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.719 ' H ' HG22 ' A' ' 10' ' ' ILE . 7.7 ptm180 -123.54 113.0 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -140.87 145.0 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.87 171.04 38.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 40.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.43 107.59 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.7 -40.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 79' ' ' ALA . 17.5 mmmt 58.19 39.6 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -78.97 156.71 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.39 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.9 mt -92.0 8.08 39.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 59.29 39.63 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 p -61.89 163.64 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.3 167.15 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -107.49 151.69 41.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 32' ' ' ILE . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 29' ' ' ILE . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HG3' ' A' ' 41' ' ' LYS . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 49' ' ' GLY . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' ALA . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.697 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -45.13 -42.79 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' SER . 38.1 mt-30 -43.41 160.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' GLN . 3.1 m -37.25 125.73 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' THR . . . -94.26 -60.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' ALA . 23.5 m -34.2 119.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -45.67 130.03 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 78' ' ' CYS . 6.1 p-10 -130.06 156.34 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.9 pp -75.17 -35.36 61.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.476 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 4.5 t -64.23 143.37 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.571 ' HB3' ' NZ ' ' A' ' 17' ' ' LYS . . . -161.31 122.54 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.28 152.48 36.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.1 118.91 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.05 -74.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.73 136.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.14 138.85 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 86' ' ' MET . 38.1 tptt -129.81 160.42 33.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ASP . 9.5 mmt -80.73 13.03 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' MET . 22.5 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -84.9 87.02 7.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -40.82 -55.49 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 169.45 13.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -174.2 173.11 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -173.18 152.03 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.45 174.6 43.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.45 163.92 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -113.99 83.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -126.34 139.43 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 149.16 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 14' ' ' THR . 10.0 ttt -160.03 131.2 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.39 89.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -118.27 108.46 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.35 122.02 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.22 155.59 12.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -142.75 115.46 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -136.1 150.06 70.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.842 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.22 2.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.19 108.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -79.79 121.2 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.4 p -39.59 129.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.08 148.35 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -82.77 153.91 67.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.698 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -23.13 31.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HA ' HD12 ' A' ' 29' ' ' ILE . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 26' ' ' ARG . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 29' ' ' ILE . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 41' ' ' LYS . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' ALA . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 65' ' ' LEU . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -47.87 -41.77 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 71' ' ' GLN . 0.6 OUTLIER -42.07 139.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ALA . 60.9 m -101.9 -58.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -34.65 126.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.3 m 70.19 53.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.53 170.28 16.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -94.71 -176.37 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mp -46.31 137.83 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.16 -41.0 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . 53.89 42.27 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' ALA . 4.9 t70 -34.69 115.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.44 176.97 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' GLY . 9.9 tp -107.95 -53.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' LEU . . . 37.48 -105.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.77 148.3 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -71.35 162.44 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 25.8 ttp -125.05 110.8 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -149.47 130.88 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -164.29 172.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.39 130.43 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -164.0 163.3 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -129.79 153.59 48.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.71 166.6 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.85 -45.55 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -50.79 -177.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.793 HD12 ' O ' ' A' ' 10' ' ' ILE . 2.7 pp -83.43 135.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 175.33 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -147.85 144.83 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.43 -121.7 3.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -92.54 56.82 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.128 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -68.12 164.65 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.21 59.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -123.27 109.21 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 146.98 47.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.19 66.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.24 166.14 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -98.16 -50.63 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -69.03 132.1 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 23' ' ' LEU . 1.9 pt? -88.76 149.87 23.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 p -69.93 149.41 96.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -31.33 20.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 29' ' ' ILE . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 32' ' ' ILE . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 29' ' ' ILE . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 55' ' ' LEU . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 50' ' ' VAL . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.626 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 35' ' ' ILE . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 65' ' ' LEU . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 32' ' ' ILE . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -49.01 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.32 97.63 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -49.75 -45.74 49.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.93 135.71 51.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.1 t -149.25 140.75 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.85 134.31 34.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -81.2 122.13 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.6 tp -106.4 100.93 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.37 94.88 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.15 147.97 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -169.59 161.5 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -171.42 122.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -149.5 169.44 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.06 161.8 28.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -171.0 159.57 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -134.13 149.28 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ttt -62.68 -56.74 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -66.99 -51.72 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -114.17 115.41 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.36 -137.68 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.7 p 36.46 41.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -105.99 125.99 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.53 106.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' ASN . 60.6 mmm -147.51 130.26 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' HD13 ' A' ' 10' ' ' ILE . 19.7 m120 -167.12 156.9 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD13 ' C ' ' A' ' 9' ' ' ASN . 8.7 mm -114.45 58.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.47 154.33 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.15 131.41 2.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 86.4 m -109.13 101.1 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -34.49 124.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.57 46.9 1.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.35 136.99 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -39.93 143.99 0.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 101.45 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.41 108.89 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -54.04 -30.55 48.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 p -79.25 137.38 37.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.09 -179.74 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 p -114.54 153.53 46.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.189 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.8 31.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 32' ' ' ILE . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 29' ' ' ILE . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 44' ' ' VAL . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 31' ' ' ALA . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' A' ' 45' ' ' ALA . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 65' ' ' LEU . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 -68.36 -45.94 71.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' MET . 51.2 mm-40 -77.23 86.55 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 m -51.94 93.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -130.03 -175.6 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -129.86 133.73 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -138.18 160.98 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -110.25 157.18 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -80.8 137.64 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 t -104.67 148.74 26.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -167.92 -177.44 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -37.26 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 79' ' ' ALA . . . -166.05 144.76 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.33 144.41 28.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.43 96.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 130.64 47.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -130.88 118.29 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -79.73 -33.76 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.431 ' C ' ' OD1' ' A' ' 87' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -98.8 150.48 21.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.29 -62.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 148.83 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -159.79 142.57 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -157.39 164.53 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.74 175.97 17.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mtp -149.67 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -153.09 114.56 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.12 111.2 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -104.66 78.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.09 149.68 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.1 128.63 8.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -84.12 -9.71 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 139.22 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.57 70.15 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -141.73 118.14 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 148.46 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.57 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -102.47 3.21 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -39.32 -41.77 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.5 t -168.71 168.05 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.8 -175.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 p -91.39 155.68 44.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.38 30.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 32' ' ' ILE . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD3' HG22 ' A' ' 44' ' ' VAL . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD13 ' HD3' ' A' ' 41' ' ' LYS . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 44' ' ' VAL . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HD3' HD13 ' A' ' 35' ' ' ILE . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 35' ' ' ILE . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 45' ' ' ALA . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.604 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -33.06 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -104.07 111.94 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -65.33 95.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.16 150.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.8 m -107.32 119.15 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -123.42 107.42 11.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.46 -24.73 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.87 169.84 6.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.2 159.32 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.14 -48.14 8.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -169.2 150.33 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.96 128.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -140.85 156.3 46.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.71 83.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -131.19 65.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ttt 48.67 39.65 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -157.24 175.79 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -130.06 171.56 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -158.97 7.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -144.0 171.02 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -142.6 162.63 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.72 54.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mmm -145.21 122.0 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -135.82 109.85 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.3 mt -117.77 127.93 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.06 124.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -146.85 124.99 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -177.29 -50.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' GLY . 70.5 p 34.66 38.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 111.152 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -52.41 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -60.1 -46.73 93.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.428 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.7 ptpt 35.4 50.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 156.23 58.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.52 35.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 20' ' ' LEU . 6.8 tp -145.38 175.67 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -83.12 37.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -140.6 141.24 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.63 -178.67 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.22 159.84 70.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.3 m80 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.707 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD22 ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -68.46 -46.14 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -70.48 99.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' ALA . 5.7 t -116.24 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' SER . . . 36.61 41.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 t -104.34 139.28 39.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.4 82.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -104.22 119.6 39.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 78' ' ' CYS . 5.3 tt -166.69 127.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.477 ' N ' HD23 ' A' ' 77' ' ' LEU . 74.6 m -148.19 149.49 32.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.28 94.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -145.69 171.14 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.01 133.8 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.82 145.98 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.0 -129.58 2.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -166.78 145.37 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -93.58 153.31 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.9 ptm -118.28 103.37 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -88.95 175.07 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -75.07 -43.05 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.73 101.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -147.83 145.09 28.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -124.93 161.84 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.56 -116.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt 56.44 40.87 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.81 -43.36 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -39.11 128.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 159.3 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.21 163.54 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 150.68 20.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -103.14 101.43 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 168.04 20.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.99 -143.61 9.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -149.04 128.75 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -91.17 148.08 37.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.45 157.43 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 52.56 44.19 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m -157.93 159.02 36.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -115.9 164.31 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 p -93.88 154.97 40.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.82 10.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.758 ' HA ' HD12 ' A' ' 29' ' ' ILE . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ILE . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' LYS . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 44' ' ' VAL . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 35' ' ' ILE . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' HB1' ' A' ' 31' ' ' ALA . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.724 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 45' ' ' ALA . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -42.99 -33.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -127.02 156.86 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.4 m -139.63 127.38 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.38 173.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 m -59.0 101.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.47 150.45 27.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -145.65 143.1 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 77' ' ' LEU . 1.8 pt? -92.14 162.15 14.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 t -94.72 -59.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.96 148.72 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.19 -15.44 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.32 139.08 37.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.697 ' N ' HD23 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -98.58 -46.21 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.31 78.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 84' ' ' ASP . 4.1 p30 -127.96 168.62 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -155.35 145.23 21.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 tpp -126.74 97.34 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' C ' ' OD1' ' A' ' 87' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -149.71 139.22 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -160.99 161.82 31.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -154.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -156.97 156.9 33.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -134.47 175.32 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.99 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -126.33 172.77 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -93.39 113.98 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -135.77 162.3 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -144.03 134.18 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -121.1 178.12 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.89 64.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 14' ' ' THR . 9.7 t -115.01 107.64 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -165.29 142.29 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.03 176.5 25.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.28 -179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.75 147.39 78.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 166.66 26.85 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.97 151.26 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.83 84.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.2 p -171.54 125.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.26 129.7 42.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -73.17 150.71 90.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -12.52 33.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD21 ' A' ' 55' ' ' LEU . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG2' HD23 ' A' ' 55' ' ' LEU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 35' ' ' ILE . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.937 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -47.71 -45.45 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 72' ' ' SER . 71.4 mm-40 -65.97 77.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' GLN . 30.8 m 34.68 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 69' ' ' SER . . . -127.95 40.44 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 74' ' ' THR . 14.9 t -154.05 127.7 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.6 85.63 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -136.28 111.33 8.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -88.98 -35.0 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.1 m -62.54 161.66 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -36.01 130.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -127.62 41.85 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.9 41.86 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.57 147.03 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.77 166.28 39.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.96 118.08 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -70.3 164.94 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -68.59 82.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -99.77 121.33 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -173.6 176.78 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 105.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -149.68 162.17 40.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.824 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -134.75 154.17 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -156.04 -50.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.4 tpt -36.8 129.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -103.4 117.51 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.7 mp -85.36 125.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -127.69 113.36 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mmt -80.55 177.21 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.79 159.02 17.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.9 p -71.98 89.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -89.19 38.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.04 118.69 1.5 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 -31.42 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.44 144.36 4.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.705 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.39 69.17 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.56 171.37 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 36.71 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -164.93 122.32 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.92 110.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 p -66.01 155.11 88.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.14 37.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' A' ' 32' ' ' ILE . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.511 ' SD ' HD23 ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.33 -54.53 14.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -145.87 132.45 19.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -151.46 167.89 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.72 113.46 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.2 m -48.65 137.61 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -146.67 161.18 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.85 175.4 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mp 46.65 45.97 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 20.2 p -75.57 73.63 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.95 131.99 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -140.75 150.07 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.74 160.29 14.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tp -109.02 -59.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.06 149.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -144.98 175.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -101.17 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmm -102.66 98.41 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -158.35 159.07 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -91.11 -60.02 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 101.58 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -145.36 155.45 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -138.18 147.66 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 87.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -126.43 42.13 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -102.82 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -137.94 153.84 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -86.67 36.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' THR . 17.2 ttp -34.81 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.05 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' MET . 25.5 m -40.79 104.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -47.78 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.48 -141.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.0 143.67 31.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.0 157.74 34.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.37 60.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.68 1.28 30.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.71 -49.29 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -75.12 114.57 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.38 149.23 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 p -91.88 148.44 37.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.27 37.01 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' HD22 ' A' ' 65' ' ' LEU . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 26' ' ' ARG . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 29' ' ' ILE . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.624 ' HG2' HG22 ' A' ' 44' ' ' VAL . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.82 HG12 HG21 ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.82 HG21 HG12 ' A' ' 35' ' ' ILE . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.654 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD11 HD11 ' A' ' 35' ' ' ILE . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 -45.24 -52.47 9.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -125.51 129.33 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -125.52 142.4 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.41 171.12 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -87.73 -15.33 37.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -99.01 125.02 44.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -128.65 171.28 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 77' ' ' LEU . 6.7 tt -131.43 88.79 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.54 150.75 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.28 138.77 51.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.873 ' HB2' HD23 ' A' ' 82' ' ' LEU . 14.5 m-20 -68.06 -9.99 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.82 46.45 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.873 HD23 ' HB2' ' A' ' 80' ' ' ASP . 4.2 mm? -80.87 154.61 26.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.03 3.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -153.16 159.94 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -130.15 151.29 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.0 ttp -114.49 36.35 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.15 174.7 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -123.77 169.01 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.98 175.39 39.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -165.78 105.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -125.94 151.68 46.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.99 113.98 3.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.8 mtt -146.76 108.91 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -151.12 132.84 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.7 mp -94.72 139.45 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -147.57 119.17 7.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.0 ttm -127.47 -43.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.04 106.97 2.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 14' ' ' THR . 14.8 t -89.5 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -119.54 146.79 45.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -64.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -149.55 -176.7 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 147.42 38.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 158.13 58.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -115.54 179.88 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -41.96 -59.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 t -69.23 144.96 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.75 178.55 7.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -138.59 152.2 70.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo -69.77 -25.67 28.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 29' ' ' ILE . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.5 p-80 -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 62' ' ' GLU . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG11 ' HB1' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 32' ' ' ILE . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -49.99 -52.31 34.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -87.03 175.81 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 t -120.01 41.33 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.76 84.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.725 ' HA ' HD11 ' A' ' 77' ' ' LEU . 13.1 t -94.48 40.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -122.01 -48.89 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.61 -24.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD13 ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.91 -179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.6 p -171.78 163.02 6.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.25 165.43 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.15 167.75 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.06 112.12 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' H ' ' A' ' 83' ' ' GLY . 6.0 tp -110.36 157.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -149.18 58.66 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 82' ' ' LEU . 33.7 t70 -74.56 129.14 37.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 86' ' ' MET . 9.4 tmtt? -71.29 139.98 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 85' ' ' LYS . 16.6 ttp -35.06 -48.66 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.05 171.46 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -144.58 127.29 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -137.45 3.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.539 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.83 152.77 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.35 -49.29 23.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.9 172.6 45.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 11' ' ' ARG . 18.5 tpp -124.34 116.14 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' ILE . 74.5 m-20 -127.79 171.6 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' ASN . 19.4 pt 33.96 53.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 8' ' ' MET . 22.5 mmm-85 -132.24 49.56 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 tpt -159.19 133.0 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.84 -54.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 p 41.84 40.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -106.74 41.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.74 84.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -45.98 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -175.06 155.31 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.71 19.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -121.53 8.64 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' SER . 12.2 mtt85 -91.91 30.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ARG . 69.2 m 36.99 43.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -41.01 149.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -102.14 153.5 38.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.61 23.47 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 32' ' ' ILE . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.721 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 29' ' ' ILE . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.721 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 65' ' ' LEU . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -44.55 -39.78 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 5.5 mt-30 -92.7 109.32 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -65.22 90.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.81 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.05 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -101.84 39.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.97 -49.14 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.17 131.71 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.79 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.3 m -111.69 -42.26 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 171.49 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -89.75 89.22 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.99 152.87 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.29 -51.56 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.66 179.03 52.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -120.17 96.6 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -88.03 82.25 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.79 40.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.91 159.32 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -150.37 155.32 39.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.76 139.73 4.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -149.29 134.04 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -169.29 148.69 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.03 69.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.26 42.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -121.25 -42.59 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 10' ' ' ILE . 3.7 mp -45.14 125.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -125.99 177.07 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.11 10.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 170.97 44.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -47.57 106.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -166.14 170.19 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.71 73.41 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -54.49 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 145.36 48.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.6 62.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.49 127.61 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -47.01 -31.05 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -79.74 129.35 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.6 pt? -123.79 160.68 26.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 p -79.25 155.45 76.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -35.42 12.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 HG11 ' A' ' 44' ' ' VAL . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 HG13 ' A' ' 35' ' ' ILE . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 65' ' ' LEU . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 71' ' ' GLN . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -59.26 -46.54 88.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 71.3 tp60 -63.62 84.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -99.7 86.19 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.61 -60.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -113.08 105.82 13.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.0 160.27 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.5 t30 60.87 29.47 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 77' ' ' LEU . 1.4 pt? -60.31 147.04 41.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.3 p -174.34 126.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 42.56 43.9 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.44 171.36 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.33 128.82 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.811 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -114.95 133.22 56.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 82' ' ' LEU . . . 129.94 83.49 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -122.71 37.69 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -73.67 99.75 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.6 tpt -67.52 -56.57 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -165.44 153.11 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -158.27 171.93 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.54 -45.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -46.04 113.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -111.6 137.26 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.58 132.36 11.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -68.97 114.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -129.24 82.18 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 pt -137.66 173.23 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -114.85 121.15 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmt -118.7 171.21 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.53 127.11 4.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -139.52 106.71 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.175 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' CG ' ' HE2' ' A' ' 17' ' ' LYS . 8.5 ttpp 50.33 35.37 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.68 -60.55 2.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE2' ' CG ' ' A' ' 15' ' ' LYS . 47.4 mttm 51.95 54.48 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -47.32 143.91 4.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.0 11.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.2 pt? -116.74 -177.06 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -58.46 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -79.12 113.45 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.69 167.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -119.41 151.43 51.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.61 36.98 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 65' ' ' LEU . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB3' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 41' ' ' LYS . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HA ' HD12 ' A' ' 65' ' ' LEU . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -51.15 -50.93 57.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -42.06 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t -113.08 95.53 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.33 169.27 8.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.0 137.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -143.08 137.53 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -139.08 144.71 38.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.2 tm? -145.27 106.52 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.57 166.8 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.8 121.91 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.25 171.35 14.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.49 82.9 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -71.81 -46.74 57.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.89 126.37 21.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -154.79 176.15 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -172.7 142.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 2.5 ptt? -82.22 -43.25 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . 2.6 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -71.02 176.79 4.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -127.93 -61.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.64 169.08 41.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -84.11 174.3 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -140.15 121.07 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 112.08 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mmm -67.53 -46.22 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 49.0 m-80 -125.27 -58.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 10' ' ' ILE . 12.2 mm 35.61 48.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -111.86 92.65 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 tpp -101.28 143.93 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.82 108.95 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 m -130.1 98.8 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -82.96 170.03 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.58 -127.76 6.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -149.79 175.65 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -138.62 150.18 65.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 179.0 4.05 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.3 pp -46.54 157.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' SER . 1.7 tpp85 -169.33 122.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' ARG . 58.9 p -35.6 136.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.75 -176.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -126.51 150.0 69.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -27.69 26.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 32' ' ' ILE . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 29' ' ' ILE . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HD2' HG22 ' A' ' 44' ' ' VAL . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' CG2' ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.822 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 65' ' ' LEU . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 62' ' ' GLU . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.479 ' SD ' HD23 ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -51.19 -46.39 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.06 -55.79 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -81.44 46.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . -112.16 -60.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -116.11 135.83 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -64.67 142.93 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -135.51 120.7 18.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.77 44.92 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.6 m -150.22 116.39 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.04 108.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.29 149.12 52.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 34.33 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.2 mp -110.12 140.87 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.69 -45.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -99.8 105.91 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -81.7 135.86 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -46.39 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.72 168.25 27.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.02 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.2 -152.92 5.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -161.02 155.49 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -156.54 174.09 15.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.69 121.88 6.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' ASN . 3.7 ptt? -71.49 -41.21 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' MET . 10.2 t30 -171.51 167.75 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.48 136.32 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' NH2' HG22 ' A' ' 14' ' ' THR . 17.3 tpt180 -110.39 140.73 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.05 -59.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.75 153.85 6.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 14' ' ' THR . 8.0 t -123.01 106.64 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 152.21 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.28 -50.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.64 175.72 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -142.03 143.98 30.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -113.17 165.73 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 58.9 41.5 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.4 p -80.92 163.53 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.72 176.13 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 p -113.46 155.97 43.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.792 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.492 HD12 HG12 ' A' ' 29' ' ' ILE . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.792 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 45' ' ' ALA . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.432 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -45.26 -46.45 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -44.23 148.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.6 t -43.13 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.55 -60.18 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 m 55.88 44.02 26.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -117.39 105.37 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -56.54 131.37 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -143.41 170.99 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.25 154.34 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.66 124.19 45.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.59 41.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.44 100.6 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.19 140.2 52.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.1 162.83 13.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -160.9 176.2 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 86' ' ' MET . 0.2 OUTLIER -130.6 149.88 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.454 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 1.5 tpt -39.31 -54.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.824 0.26 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.667 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' ILE . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 29' ' ' ILE . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.789 HG21 ' HE3' ' A' ' 41' ' ' LYS . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 44' ' ' VAL . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.789 ' HE3' HG21 ' A' ' 35' ' ' ILE . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.71 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.795 0.248 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 65' ' ' LEU . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' HD2' ' A' ' 41' ' ' LYS . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.474 HD11 HG21 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.474 HG21 HD11 ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.792 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.473 ' SD ' HD23 ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.159 0 CA-C-O 120.827 0.261 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' LEU . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.555 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.861 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.483 ' SD ' HD23 ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.798 0.249 . . . . 0.0 112.357 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.558 ' HA ' HD12 ' A' ' 32' ' ' ILE . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HG3' ' A' ' 62' ' ' GLU . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.575 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 45' ' ' ALA . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.474 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 65' ' ' LEU . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.818 0.257 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 32' ' ' ILE . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 29' ' ' ILE . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HG3' ' A' ' 41' ' ' LYS . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 49' ' ' GLY . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' ALA . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.697 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.789 0.245 . . . . 0.0 112.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HA ' HD12 ' A' ' 29' ' ' ILE . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 26' ' ' ARG . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 29' ' ' ILE . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 41' ' ' LYS . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' ALA . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 65' ' ' LEU . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.134 0 CA-C-O 120.751 0.229 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 29' ' ' ILE . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 32' ' ' ILE . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 29' ' ' ILE . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 55' ' ' LEU . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 50' ' ' VAL . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.626 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 35' ' ' ILE . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 65' ' ' LEU . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 32' ' ' ILE . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.13 0 CA-C-O 120.8 0.25 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 32' ' ' ILE . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 29' ' ' ILE . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 44' ' ' VAL . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 31' ' ' ALA . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' A' ' 45' ' ' ALA . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 65' ' ' LEU . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.823 0.259 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 32' ' ' ILE . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD3' HG22 ' A' ' 44' ' ' VAL . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.629 HD13 ' HD3' ' A' ' 41' ' ' LYS . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 44' ' ' VAL . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HD3' HD13 ' A' ' 35' ' ' ILE . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 35' ' ' ILE . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 45' ' ' ALA . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.604 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.778 0.241 . . . . 0.0 112.313 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 7.5 m170 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.707 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD22 ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.778 0.241 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.758 ' HA ' HD12 ' A' ' 29' ' ' ILE . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.517 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ILE . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' LYS . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 44' ' ' VAL . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 35' ' ' ILE . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' HB1' ' A' ' 31' ' ' ALA . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.724 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 45' ' ' ALA . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.763 0.235 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' CD ' ' A' ' 26' ' ' ARG . 3.6 m170 -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD21 ' A' ' 55' ' ' LEU . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG2' HD23 ' A' ' 55' ' ' LEU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 35' ' ' ILE . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.937 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.128 0 CA-C-O 120.8 0.25 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' A' ' 32' ' ' ILE . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.511 ' SD ' HD23 ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.771 0.238 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' HD22 ' A' ' 65' ' ' LEU . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 26' ' ' ARG . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.1 m170 -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 29' ' ' ILE . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.624 ' HG2' HG22 ' A' ' 44' ' ' VAL . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.82 HG12 HG21 ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.82 HG21 HG12 ' A' ' 35' ' ' ILE . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.654 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.63 HD11 HD11 ' A' ' 35' ' ' ILE . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.77 0.238 . . . . 0.0 112.332 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 29' ' ' ILE . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 62' ' ' GLU . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.705 HG11 ' HB1' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 32' ' ' ILE . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.777 0.24 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 32' ' ' ILE . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.721 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 29' ' ' ILE . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.721 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 65' ' ' LEU . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.771 0.238 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 HG11 ' A' ' 44' ' ' VAL . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 HG13 ' A' ' 35' ' ' ILE . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 65' ' ' LEU . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.164 0 CA-C-O 120.828 0.262 . . . . 0.0 112.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 65' ' ' LEU . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB3' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 41' ' ' LYS . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HA ' HD12 ' A' ' 65' ' ' LEU . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.833 0.264 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 32' ' ' ILE . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 29' ' ' ILE . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HD2' HG22 ' A' ' 44' ' ' VAL . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' CG2' ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.822 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 65' ' ' LEU . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 62' ' ' GLU . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.479 ' SD ' HD23 ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.237 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.792 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.492 HD12 HG12 ' A' ' 29' ' ' ILE . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.792 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 45' ' ' ALA . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.432 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -157.76 129.85 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -141.07 164.71 29.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.91 65.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -101.74 40.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -61.48 -49.72 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.3 155.43 5.01 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -142.51 132.88 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.439 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER -113.02 78.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.6 mt -125.8 150.24 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -98.66 80.5 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 ttm -76.95 174.02 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.42 163.76 3.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.6 p -76.11 51.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.865 0.364 . . . . 0.0 111.111 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -168.79 132.57 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.73 143.87 8.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.86 50.9 1.62 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.8 0.334 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.75 150.68 17.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 177.05 6.02 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -123.42 134.66 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -46.37 -45.16 17.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -65.59 152.39 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.8 pt? -112.39 167.47 10.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -83.42 152.94 65.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.66 34.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.377 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.667 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.5 tpt180 -73.71 -30.98 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -47.48 70.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 15.8 mttm -59.0 -43.1 91.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' ILE . 56.5 mt -55.81 -45.57 79.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 29' ' ' ILE . 25.2 m170 -36.14 -57.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -71.62 -46.21 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.154 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 29' ' ' ILE . 51.0 mt -33.62 -45.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 34' ' ' ARG . 10.5 tp60 -60.05 -57.35 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' GLN . 55.5 mtt-85 -34.53 -61.63 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.789 HG21 ' HE3' ' A' ' 41' ' ' LYS . 82.7 mt -42.68 -52.93 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -63.04 -42.58 99.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.812 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -54.23 -45.39 72.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 172.09 -38.56 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.533 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 44' ' ' VAL . 21.7 mm-40 -42.24 162.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.2 m -102.73 149.09 24.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.82 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.789 ' HE3' HG21 ' A' ' 35' ' ' ILE . 19.9 mmtp -44.63 -52.25 8.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.94 -48.59 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.076 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.9 m -49.72 -50.25 44.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 95.0 t -68.23 -49.92 62.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -60.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -61.43 -35.15 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -38.42 -57.85 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 50' ' ' VAL . 47.8 pt -85.08 -31.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.03 50.93 0.66 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.469 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.447 HG21 HD11 ' A' ' 48' ' ' ILE . 33.1 m -134.48 150.98 75.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.8 Cg_endo -69.72 126.31 13.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.374 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 51' ' ' PRO . 41.3 mt-10 -35.71 -36.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.0 m -52.18 -67.48 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 55' ' ' LEU . 90.3 m -49.42 -54.83 15.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.1 tp -35.98 -61.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.1 mmt85 -41.57 -46.26 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -38.54 -58.15 1.77 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.513 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 12.9 m0 -57.35 -59.37 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.762 0.315 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 50.2 t -43.41 -38.96 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.8 tttt -60.43 -55.96 27.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -88.29 10.68 18.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 65' ' ' LEU . 31.9 tt0 -42.02 -44.01 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.49 -66.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' C ' ' HG3' ' A' ' 68' ' ' MET . 0.0 OUTLIER -61.73 -49.12 77.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.71 ' O ' HD11 ' A' ' 29' ' ' ILE . 9.9 mt -42.32 -43.86 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.9 mtt180 -54.28 -38.83 66.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE1' ' HD3' ' A' ' 70' ' ' ARG . 83.5 t80 -95.15 -11.98 27.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 35.8 mtt -59.3 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.1 p -39.45 -46.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 67' ' ' PHE . 30.0 ttt180 -47.21 -52.82 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -147.31 146.88 29.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.5 p -144.25 133.79 23.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.46 -60.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.103 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -173.24 161.96 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.5 p-10 -97.55 83.56 3.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -128.4 44.33 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.65 132.36 13.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.3 p -73.33 124.86 26.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.49 -57.06 10.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -127.88 173.21 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -168.46 155.74 7.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.2 mp -42.43 153.18 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.34 -100.26 0.15 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -69.28 169.46 12.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.48 139.07 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.0 tpt -107.34 101.88 11.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.7 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 18.7 m -89.59 41.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 60.3 p 35.51 41.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.789 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.12 -121.66 1.72 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -167.92 140.24 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -164.88 174.45 10.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 140.98 37.78 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -171.2 172.87 5.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 50.28 48.54 22.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.0 mp -76.02 132.8 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -101.06 91.42 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 38.9 mtp -112.41 124.07 51.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.26 94.05 0.2 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.465 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 14' ' ' THR . 21.4 m -102.18 -8.26 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.379 . . . . 0.0 111.192 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.4 ptmm? -54.6 171.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.79 137.07 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -103.38 160.53 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.18 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.61 0.719 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.38 14.58 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.668 2.245 . . . . 0.0 112.338 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.42 8.31 5.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' SER . 19.9 ttt85 -42.3 127.19 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' ARG . 1.9 t -35.84 134.22 0.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.03 140.59 43.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.7 p -84.11 149.51 56.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -22.09 32.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 -74.83 -38.74 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -47.63 -49.23 27.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -64.21 -45.02 90.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.531 HD11 ' O ' ' A' ' 65' ' ' LEU . 90.2 mt -55.82 -44.54 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -44.53 -33.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -76.83 -43.87 34.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 42.2 mt -33.96 -42.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.8 mp0 -66.63 -51.33 57.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' GLN . 38.0 mtt85 -34.47 -48.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' HD2' ' A' ' 41' ' ' LYS . 57.2 mt -59.2 -51.47 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -60.21 -37.67 81.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -54.99 -46.65 75.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.3 -34.48 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -59.2 159.74 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.362 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.7 t -100.57 156.54 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD2' HG21 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -48.78 -44.43 38.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.8 -48.62 80.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -57.97 -57.62 11.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.85 -52.04 39.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -41.78 -58.6 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 47' ' ' ASP . 17.4 tpt85 -67.06 -37.57 84.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' ARG . 7.1 t0 -37.68 -53.16 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.474 HD11 HG21 ' A' ' 50' ' ' VAL . 34.5 pt -87.28 -30.55 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.26 46.82 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG21 HD11 ' A' ' 48' ' ' ILE . 34.9 m -133.21 150.82 76.42 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.79 122.4 9.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' PRO . 1.3 tm-20 -34.83 -39.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -53.88 -50.15 66.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' PRO . 70.2 m -65.8 -55.65 16.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.792 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 3.8 tp -45.11 -64.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -40.81 -39.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -46.71 -52.58 11.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.792 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 7.5 m0 -50.38 -64.59 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.933 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' TRP . 2.4 t -36.5 -34.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 58' ' ' TRP . 5.6 ttpm? -69.51 -53.73 17.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -85.38 20.38 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 65' ' ' LEU . 10.9 tt0 -50.53 -36.49 34.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -47.31 -57.74 4.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' C ' ' HG3' ' A' ' 68' ' ' MET . 76.0 mttt -71.62 -49.24 42.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.2 mt -41.25 -45.75 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -53.05 -38.69 62.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.817 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 64' ' ' LYS . 62.5 t80 -95.15 -13.17 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.473 ' SD ' HD23 ' A' ' 65' ' ' LEU . 36.1 mtt -58.4 -54.05 51.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' MET . 77.1 p -37.56 -51.69 1.18 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -54.22 -51.23 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -171.46 138.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.4 p -120.29 107.91 13.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.74 -61.39 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 74' ' ' THR . 20.5 m 69.13 39.11 1.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.61 108.87 20.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -45.65 115.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.1 tp -144.72 158.1 43.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.7 t -119.0 152.18 36.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.23 160.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.22 172.33 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.45 136.02 33.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 83' ' ' GLY . 1.9 tt -42.69 142.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.521 ' N ' HD23 ' A' ' 82' ' ' LEU . . . -42.43 143.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -82.03 177.04 9.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.6 tttt 67.3 42.21 2.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.6 tpt -85.67 41.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.4 p 46.69 42.26 11.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -85.18 114.36 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.69 85.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -169.1 126.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -164.67 168.77 17.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 161.43 -168.58 36.69 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.9 ptm 34.48 39.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -111.74 105.83 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 pt -101.35 121.33 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -148.84 131.27 15.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -133.74 -52.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.59 163.17 34.35 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.4 m -78.59 106.81 10.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.14 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.4 pttp -171.33 144.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -135.15 80.42 0.31 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -110.27 146.45 35.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.739 0.304 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.4 148.23 3.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 171.21 14.91 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 mt -98.87 175.04 6.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtt-85 57.94 44.67 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -117.15 166.91 11.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD12 ' C ' ' A' ' 23' ' ' LEU . 4.4 pp -134.65 165.69 24.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.7 p -102.94 153.02 38.56 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.612 0.72 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -32.78 17.85 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.599 ' HA ' HD12 ' A' ' 29' ' ' ILE . 4.5 ptp180 -60.23 -40.44 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' ARG . 36.2 t70 -35.76 -42.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 58.0 mttt -69.1 -57.92 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' O ' ' A' ' 65' ' ' LEU . 27.8 mt -46.17 -39.38 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -46.54 -64.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -68.51 -45.23 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.2 mt -33.84 -41.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -61.36 -56.67 17.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 33' ' ' GLN . 51.8 mtp180 -35.03 -58.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.5 mt -44.57 -53.61 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -55.06 -43.72 74.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.39 -47.18 76.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 166.68 -38.22 0.25 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.461 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -38.06 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' LYS . 19.5 m -93.11 129.36 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 10.9 mptt -35.32 -56.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.53 -45.63 63.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' SER . 3.8 t -59.2 -57.73 11.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.514 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 85.9 t -57.46 -36.17 52.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -55.01 -53.72 52.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -72.49 -36.95 68.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -40.47 -51.3 2.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD11 ' CG2' ' A' ' 50' ' ' VAL . 37.3 pt -84.31 -31.46 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.64 52.13 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.498 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.2 m -144.81 149.63 43.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.561 0.696 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.76 126.43 13.3 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.67 2.247 . . . . 0.0 112.343 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 51' ' ' PRO . 15.3 tt0 -35.3 -47.33 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.4 m -44.02 -48.5 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 85.5 m -68.62 -47.02 67.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.6 tp -44.77 -60.26 2.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -42.71 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.39 -51.65 5.37 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.555 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 16.2 m0 -56.97 -61.89 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.724 0.297 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 49.8 t -42.92 -38.76 2.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -50.72 -53.02 34.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -103.54 36.55 2.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.861 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.6 pp20? -64.45 -44.5 90.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 62' ' ' GLU . 9.8 t70 -34.62 -59.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 95.7 mttt -67.15 -51.12 57.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 ' HA ' ' A' ' 62' ' ' GLU . 19.3 mt -40.96 -50.03 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -49.47 -37.38 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -95.3 -16.49 22.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.483 ' SD ' HD23 ' A' ' 65' ' ' LEU . 39.3 mtt -56.38 -55.07 38.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -42.76 -48.55 5.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 31.4 ttt-85 -47.25 -46.0 24.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.812 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -65.25 108.9 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -55.82 -63.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.49 90.67 8.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.096 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -74.58 -47.21 33.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -78.43 -49.57 13.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.3 t30 49.87 42.2 23.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.2 mp 51.97 41.25 29.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 31.3 p -66.4 172.63 3.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.58 172.17 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -60.38 171.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.91 85.88 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 82' ' ' LEU . 4.1 mm? -78.21 45.97 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.38 153.02 10.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.34 125.2 30.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.37 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -105.7 122.69 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -84.91 -43.47 14.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -154.21 168.47 26.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -157.45 151.57 24.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.61 70.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -112.12 -52.21 2.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 t -41.0 155.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.19 88.45 0.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mtt -131.42 174.35 10.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.826 0.346 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -150.65 164.98 34.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.819 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -128.44 141.61 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt85 -115.08 145.0 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.8 146.6 28.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.31 164.86 27.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.2 p -130.53 105.03 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -172.31 142.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.79 143.48 9.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.502 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -112.94 177.3 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -107.39 151.27 40.84 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 143.85 52.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -114.82 168.24 10.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -54.94 -60.42 3.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -78.76 100.05 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.2 mt -58.04 164.23 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 48.3 p -106.9 152.26 40.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.559 0.695 . . . . 0.0 111.158 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.6 28.49 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.5 ttt180 -74.75 -40.46 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -43.3 -37.34 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 51.5 mttt -69.76 -40.65 75.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.558 ' HA ' HD12 ' A' ' 32' ' ' ILE . 62.5 mt -55.44 -44.35 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 29' ' ' ILE . 15.5 m-70 -37.35 -59.79 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.83 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.575 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.41 -47.03 65.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.066 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HG3' ' A' ' 62' ' ' GLU . 28.8 mt -33.51 -47.66 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' HIS . 16.4 tp60 -61.6 -48.59 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 mmp_? -40.37 -43.84 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.93 -36.97 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' GLN . 18.8 m-70 -72.03 -41.72 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.66 -41.38 31.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.28 -23.24 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -61.8 152.94 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.349 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.6 p -83.97 159.45 21.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -49.25 -46.46 46.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.16 -58.85 6.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.1 t -38.29 -54.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.575 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 86.2 t -68.07 -48.33 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.88 -46.35 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -80.03 -38.82 31.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -41.69 -42.77 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD11 ' CG2' ' A' ' 50' ' ' VAL . 45.7 pt -89.69 -31.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 108.99 54.52 0.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.629 ' CG2' HD11 ' A' ' 48' ' ' ILE . 19.2 m -148.72 151.27 35.16 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.732 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 127.98 15.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.279 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 51' ' ' PRO . 2.9 tm-20 -36.21 -49.53 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 68.0 p -43.61 -52.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.2 m -63.25 -52.44 62.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD22 ' HB2' ' A' ' 45' ' ' ALA . 17.3 tp -39.07 -55.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.1 mmm-85 -46.59 -42.02 15.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.03 -57.26 2.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.474 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 7.5 m0 -60.17 -58.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.744 0.307 . . . . 0.0 110.922 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 64.1 m -42.87 -41.49 3.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -54.94 -48.74 72.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -100.9 28.55 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.713 ' HA ' HD12 ' A' ' 65' ' ' LEU . 44.3 tt0 -57.69 -44.2 85.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -37.88 -59.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 1.2 mptp? -67.32 -50.31 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.5 mt -41.29 -47.36 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -51.59 -37.97 52.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -95.22 -13.67 24.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 34.5 mtp -59.07 -46.75 87.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.6 p -46.71 -29.91 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.7 tpt85 -60.25 -52.12 66.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -74.02 87.26 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.9 m -55.99 -54.7 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.48 159.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.6 t -68.25 136.95 54.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -155.61 176.27 12.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' ND2' HD23 ' A' ' 77' ' ' LEU . 44.9 t30 -149.61 148.29 29.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD23 ' ND2' ' A' ' 76' ' ' ASN . 1.4 pt? -46.82 174.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.6 p -158.1 169.74 23.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.54 144.18 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -174.91 135.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.17 131.33 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.59 172.44 13.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -111.9 144.82 17.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -146.92 173.39 12.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -171.61 174.64 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.09 105.28 6.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -158.6 154.53 26.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.915 0.388 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t -151.77 154.35 36.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.63 163.47 33.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -138.99 174.88 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -88.81 50.42 1.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.34 -172.57 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -127.8 47.18 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.554 ' C ' HD13 ' A' ' 10' ' ' ILE . 3.6 p30 -108.76 115.23 29.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.719 HG22 ' H ' ' A' ' 11' ' ' ARG . 2.3 mm -117.18 179.98 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.719 ' H ' HG22 ' A' ' 10' ' ' ILE . 7.7 ptm180 -123.54 113.0 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -140.87 145.0 35.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.87 171.04 38.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -107.08 40.59 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.866 0.365 . . . . 0.0 111.182 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.43 107.59 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.7 -40.43 1.71 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 79' ' ' ALA . 17.5 mmmt 58.19 39.6 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.9 OUTLIER -78.97 156.71 76.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.658 0.742 . . . . 0.0 110.898 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 109.39 2.31 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.9 mt -92.0 8.08 39.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 59.29 39.63 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.3 p -61.89 163.64 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.3 167.15 10.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.0 p -107.49 151.69 41.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -48.9 -24.58 1.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.88 -51.24 19.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HE3' ' NE1' ' A' ' 58' ' ' TRP . 24.3 mttp -58.13 -36.05 72.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.715 ' HA ' HD12 ' A' ' 32' ' ' ILE . 87.8 mt -59.11 -40.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.162 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -48.5 -48.19 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.1 -44.2 60.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 29' ' ' ILE . 41.8 mt -33.74 -40.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 8.0 mm100 -70.53 -51.21 30.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' GLN . 50.6 mtt85 -34.46 -37.83 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' HG3' ' A' ' 41' ' ' LYS . 81.4 mt -70.22 -52.75 27.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.9 m170 -47.82 -41.06 22.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -57.18 -45.06 84.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.01 -36.91 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -46.04 133.36 8.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.0 t -75.2 146.25 41.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HG3' HD13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -46.6 -45.5 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.8 91.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -61.74 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.6 t -65.27 -43.54 95.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.609 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -49.56 -63.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -68.76 -38.06 79.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -39.0 -55.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 49' ' ' GLY . 49.3 pt -81.66 -31.54 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 113.9 50.75 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 45' ' ' ALA . 32.5 m -140.65 148.87 54.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.602 0.715 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.1 Cg_endo -69.81 129.36 17.4 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.349 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' PRO . 14.5 mp0 -36.22 -41.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.6 m -52.67 -61.4 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -53.52 -48.77 68.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 ' CZ3' ' A' ' 58' ' ' TRP . 18.6 tp -43.13 -58.47 2.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -52.82 -33.03 47.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.15 -24.89 7.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 2.6 m0 -88.83 -53.96 4.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.9 p -60.86 -14.83 24.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -72.1 -50.94 24.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -104.34 31.84 4.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.697 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.9 tt0 -43.51 -48.21 7.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -39.83 -68.23 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' C ' ' HG3' ' A' ' 68' ' ' MET . 24.9 mmtt -53.47 -55.16 27.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.2 mt -41.17 -49.94 3.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -49.4 -37.18 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -95.32 -14.65 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 47.1 mtt -59.49 -51.32 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -55.36 -41.46 72.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -45.13 -42.79 9.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' SER . 38.1 mt-30 -43.41 160.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' GLN . 3.1 m -37.25 125.73 1.0 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 74' ' ' THR . . . -94.26 -60.53 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 73' ' ' ALA . 23.5 m -34.2 119.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -45.67 130.03 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' HB3' ' A' ' 78' ' ' CYS . 6.1 p-10 -130.06 156.34 44.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.9 pp -75.17 -35.36 61.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.476 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 4.5 t -64.23 143.37 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.571 ' HB3' ' NZ ' ' A' ' 17' ' ' LYS . . . -161.31 122.54 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -76.28 152.48 36.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.1 118.91 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -71.05 -74.12 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.73 136.5 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.14 138.85 32.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 86' ' ' MET . 38.1 tptt -129.81 160.42 33.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' ASP . 9.5 mmt -80.73 13.03 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' MET . 22.5 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 t -84.9 87.02 7.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.912 0.387 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 t -40.82 -55.49 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.5 169.45 13.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.532 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -174.2 173.11 3.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.857 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -173.18 152.03 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.45 174.6 43.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.528 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.45 163.92 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.851 0.358 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -113.99 83.47 1.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.3 mt -126.34 139.43 51.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.71 149.16 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.582 ' O ' HG22 ' A' ' 14' ' ' THR . 10.0 ttt -160.03 131.2 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.39 89.79 0.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.582 HG22 ' O ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -118.27 108.46 15.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.35 122.02 6.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 112.22 155.59 12.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -142.75 115.46 8.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.907 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.0 OUTLIER -136.1 150.06 70.06 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.635 0.731 . . . . 0.0 110.842 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -179.22 2.75 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.7 2.267 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.19 108.62 0.43 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -79.79 121.2 25.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.4 p -39.59 129.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 pp -110.08 148.35 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 p -82.77 153.91 67.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.698 . . . . 0.0 111.176 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -23.13 31.29 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HA ' HD12 ' A' ' 29' ' ' ILE . 8.1 tpt180 -77.68 -29.73 51.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -48.91 -32.89 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 58' ' ' TRP . 74.6 mttt -77.06 -52.64 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 26' ' ' ARG . 22.4 mt -46.95 -43.06 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 49.0 m170 -38.02 -60.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.657 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -69.12 -48.22 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 29' ' ' ILE . 49.5 mt -33.24 -45.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 6.7 tp60 -57.16 -59.88 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 32.7 mtt-85 -34.47 -59.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 41' ' ' LYS . 50.2 mt -42.16 -55.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.29 -42.95 92.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -57.59 -44.48 85.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.99 -38.99 0.21 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.519 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -42.95 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 44' ' ' VAL . 42.5 t -104.12 143.06 33.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HD22 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -47.92 -29.91 3.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.67 -56.07 5.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -58.81 -36.9 75.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 52.5 t -71.39 -50.05 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -51.29 -44.45 61.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -76.73 -38.18 54.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -38.19 -57.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD11 ' CG2' ' A' ' 50' ' ' VAL . 43.6 pt -76.24 -32.23 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 112.86 52.12 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' ALA . 24.4 m -143.89 149.43 46.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.591 0.71 . . . . 0.0 111.142 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 132.85 24.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.652 2.235 . . . . 0.0 112.327 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' PRO . 46.8 mt-10 -36.16 -43.3 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.2 m -48.71 -55.33 11.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' LEU . 89.8 m -57.13 -61.62 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.175 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 58' ' ' TRP . 5.3 tp -36.14 -62.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -40.85 -47.95 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.19 -47.79 3.53 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.551 ' CD1' ' HE2' ' A' ' 28' ' ' LYS . 11.9 m0 -59.81 -56.45 21.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.749 0.309 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t -46.76 -43.13 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -44.61 -54.32 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -103.36 32.65 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.765 ' HA ' HD12 ' A' ' 65' ' ' LEU . 34.9 tt0 -52.56 -39.45 61.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -47.93 -63.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -54.34 -56.29 19.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.961 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.765 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.2 mt -43.85 -46.84 8.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -53.1 -36.76 61.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -95.27 -12.01 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.482 ' HE3' ' N ' ' A' ' 65' ' ' LEU . 23.7 mtt -62.39 -55.77 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.8 t -46.54 -37.53 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -47.87 -41.77 25.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.07 139.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 73' ' ' ALA . 60.9 m -101.9 -58.2 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.826 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 72' ' ' SER . . . -34.65 126.87 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.084 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.3 m 70.19 53.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -77.53 170.28 16.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -94.71 -176.37 3.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.1 mp -46.31 137.83 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 25.5 p -47.16 -41.0 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 80' ' ' ASP . . . 53.89 42.27 31.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 79' ' ' ALA . 4.9 t70 -34.69 115.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -165.44 176.97 7.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 83' ' ' GLY . 9.9 tp -107.95 -53.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 82' ' ' LEU . . . 37.48 -105.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.77 148.3 26.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -71.35 162.44 29.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 25.8 ttp -125.05 110.8 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -149.47 130.88 14.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 p -164.29 172.19 13.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.39 130.43 2.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -164.0 163.3 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -129.79 153.59 48.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.71 166.6 13.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 mmt -40.85 -45.55 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -50.79 -177.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.793 ' O ' HD12 ' A' ' 10' ' ' ILE . 2.7 pp -83.43 135.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.36 175.33 8.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -147.85 144.83 28.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 130.43 -121.7 3.39 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.512 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -92.54 56.82 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.89 0.376 . . . . 0.0 111.128 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -68.12 164.65 19.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.21 59.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.506 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -123.27 109.21 13.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.83 146.98 47.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 149.19 66.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.24 166.14 19.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -98.16 -50.63 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -69.03 132.1 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.9 pt? -88.76 149.87 23.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.3 p -69.93 149.41 96.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -31.33 20.9 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 29' ' ' ILE . 18.3 ttp-105 -63.29 -38.65 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -47.08 -44.69 21.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.64 -44.47 77.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.738 ' HA ' HD12 ' A' ' 32' ' ' ILE . 32.0 mt -57.86 -40.45 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -38.92 -59.41 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.5 -45.36 65.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.738 HD12 ' HA ' ' A' ' 29' ' ' ILE . 44.6 mt -33.88 -46.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.3 tp60 -56.71 -54.38 46.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' GLN . 52.4 mtt-85 -35.26 -58.78 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.497 HD11 HD21 ' A' ' 55' ' ' LEU . 58.2 mt -48.38 -53.4 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -58.11 -44.44 87.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.824 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -55.54 -44.46 76.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.88 -37.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -43.27 149.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.3 m -89.37 139.56 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -44.94 -44.1 9.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.88 -50.74 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -58.64 -49.86 75.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.91 -57.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -37.87 -59.48 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.037 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' ASP . 28.8 mmm180 -61.76 -41.07 97.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.8 t70 -37.14 -54.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 50' ' ' VAL . 39.6 pt -85.83 -30.86 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.54 51.17 0.67 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.626 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 19.3 m -142.17 150.58 56.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 135.85 31.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -40.1 -47.44 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.7 m -44.31 -59.76 2.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.1 m -51.88 -56.73 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.497 HD21 HD11 ' A' ' 35' ' ' ILE . 6.1 tp -42.75 -55.88 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -42.56 -48.27 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.8 -44.4 12.79 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -61.7 -63.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.967 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.1 t -50.64 -34.97 28.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -55.25 -45.16 76.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -104.25 22.22 15.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 65' ' ' LEU . 33.5 tt0 -50.57 -43.65 56.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -41.85 -57.34 2.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -70.21 -49.34 51.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.571 HD13 HD11 ' A' ' 32' ' ' ILE . 10.0 mt -41.87 -50.5 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -52.36 -34.54 48.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 67' ' ' PHE . 2.5 t80 -95.22 -15.9 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 16.9 mmm -60.19 -47.82 84.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 89.1 p -42.13 -54.27 3.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.79 -49.01 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -72.32 97.63 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.4 p -49.75 -45.74 49.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.93 135.71 51.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.1 t -149.25 140.75 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -90.85 134.31 34.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -81.2 122.13 27.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.6 tp -106.4 100.93 10.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 m -85.37 94.88 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.15 147.97 33.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -169.59 161.5 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -171.42 122.89 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.8 mt -149.5 169.44 20.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -179.06 161.8 28.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 p30 -171.0 159.57 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.4 tttt -134.13 149.28 51.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 ttt -62.68 -56.74 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -66.99 -51.72 51.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.809 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.5 m -114.17 115.41 27.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -141.36 -137.68 3.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.7 p 36.46 41.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -105.99 125.99 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.53 106.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 9' ' ' ASN . 60.6 mmm -147.51 130.26 16.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' C ' HD13 ' A' ' 10' ' ' ILE . 19.7 m120 -167.12 156.9 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.441 HD13 ' C ' ' A' ' 9' ' ' ASN . 8.7 mm -114.45 58.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.47 154.33 22.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 137.15 131.41 2.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 86.4 m -109.13 101.1 10.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.891 0.377 . . . . 0.0 111.138 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -34.49 124.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.57 46.9 1.11 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.47 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -125.35 136.99 54.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -39.93 143.99 0.56 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 110.844 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 101.45 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 52.9 mt -78.41 108.89 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -54.04 -30.55 48.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 p -79.25 137.38 37.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.09 -179.74 5.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.3 p -114.54 153.53 46.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 111.189 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.8 31.54 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -75.97 -27.18 57.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.819 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.97 -26.57 64.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 58' ' ' TRP . 0.0 OUTLIER -83.27 -31.95 26.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' ' 32' ' ' ILE . 90.1 mt -65.38 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -44.18 -67.31 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.47 -48.78 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 29' ' ' ILE . 17.9 mt -33.22 -40.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.9 tm0? -66.14 -64.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.974 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -35.79 -42.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.28 -49.93 81.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' N ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-70 -59.63 -37.81 79.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -62.85 -53.7 50.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.69 -31.91 0.13 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.618 ' OE1' HG22 ' A' ' 44' ' ' VAL . 26.5 mt-10 -45.11 148.74 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 m -85.45 134.46 34.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -41.35 -44.86 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB2' ' CD ' ' A' ' 52' ' ' GLU . . . -66.41 -38.56 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.0 m -62.83 -38.43 90.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 31' ' ' ALA . 38.8 t -80.34 -41.98 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -48.09 -47.37 34.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -76.01 -24.39 55.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.14 -32.27 22.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 pt -108.3 -30.18 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.29 44.54 0.99 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.78 147.43 64.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 111.097 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 133.57 25.9 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 29.1 mt-10 -44.67 -30.69 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.4 m -58.03 -51.66 68.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 76.1 m -65.78 -52.97 46.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' A' ' 45' ' ' ALA . 15.5 tp -39.75 -58.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -43.07 -44.78 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.8 -54.68 5.78 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 7.5 m0 -53.76 -51.9 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.7 t -53.96 -39.75 66.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -51.94 -59.02 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.34 25.98 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 65' ' ' LEU . 12.3 pt-20 -47.56 -45.7 27.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 18.1 m-20 -39.98 -61.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' MET . 13.1 mmtt -60.39 -56.86 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.9 mt -39.86 -55.22 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 16.8 mtm105 -51.75 -34.04 37.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 67' ' ' PHE . 39.5 t80 -95.44 -11.9 26.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LYS . 43.1 mtt -66.11 -58.4 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.3 p -38.2 -29.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' MET . 8.2 tpt180 -68.36 -45.94 71.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' MET . 51.2 mm-40 -77.23 86.55 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.6 m -51.94 93.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -130.03 -175.6 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -129.86 133.73 47.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -138.18 160.98 38.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -110.25 157.18 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -80.8 137.64 36.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 t -104.67 148.74 26.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' ALA . . . -167.92 -177.44 3.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -37.26 93.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 79' ' ' ALA . . . -166.05 144.76 5.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.0 tp -99.33 144.41 28.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.43 96.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.38 130.64 47.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -130.88 118.29 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -79.73 -33.76 40.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -98.8 150.48 21.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.905 0.384 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.29 -62.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.72 148.83 8.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -159.79 142.57 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -157.39 164.53 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.74 175.97 17.09 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.2 mtp -149.67 122.04 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -153.09 114.56 4.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.12 111.2 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -104.66 78.81 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.09 149.68 43.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -86.1 128.63 8.93 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.507 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.1 p -84.12 -9.71 58.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.96 139.22 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.57 70.15 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -141.73 118.14 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.1 148.46 49.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -164.57 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -102.47 3.21 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -39.32 -41.77 0.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.5 t -168.71 168.05 10.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -72.8 -175.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.7 p -91.39 155.68 44.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.568 0.699 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -23.38 30.88 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -79.93 -22.89 42.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -52.45 -59.47 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' CZ3' ' A' ' 58' ' ' TRP . 1.3 mtmp? -61.2 -53.3 58.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.669 ' HA ' HD12 ' A' ' 32' ' ' ILE . 53.2 mt -42.63 -47.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -70.11 -45.92 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.669 HD12 ' HA ' ' A' ' 29' ' ' ILE . 50.1 mt -33.49 -58.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 34' ' ' ARG . 2.0 mm-40 -59.47 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' HD3' HG22 ' A' ' 44' ' ' VAL . 9.1 ttt85 -34.37 -38.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD13 ' HD3' ' A' ' 41' ' ' LYS . 70.0 mt -68.64 -63.61 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -47.1 -40.41 15.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -52.82 -44.19 66.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.69 -42.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 44' ' ' VAL . 20.5 mp0 -48.48 156.19 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -92.72 142.22 27.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HD3' HD13 ' A' ' 35' ' ' ILE . 38.8 mmtt -45.78 -41.94 11.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.79 71.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.8 m -60.95 -47.03 88.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG21 ' CG1' ' A' ' 35' ' ' ILE . 86.5 t -70.15 -44.17 78.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -53.09 -46.58 68.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -76.92 -35.41 57.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -37.54 -55.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 50' ' ' VAL . 47.0 pt -81.03 -30.58 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.36 48.34 0.65 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 45' ' ' ALA . 27.0 m -138.38 150.51 66.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 111.148 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 139.77 40.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' SER . 11.3 mt-10 -45.51 -61.48 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLU . 90.2 p -36.04 -54.33 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.4 m -58.84 -46.77 86.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 4.7 tp -57.1 -52.36 65.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -45.77 -41.69 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.96 -59.63 3.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.604 ' CZ3' HD12 ' A' ' 55' ' ' LEU . 9.4 m0 -46.71 -63.62 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.725 0.298 . . . . 0.0 110.929 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.6 t -40.6 -44.38 2.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.71 -58.95 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -80.32 11.78 3.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.641 ' HA ' HD12 ' A' ' 65' ' ' LEU . 7.7 tt0 -44.04 -36.52 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -41.17 -60.72 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -66.32 -47.64 72.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 62' ' ' GLU . 10.4 mt -45.56 -43.45 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -54.67 -36.74 64.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -95.26 -11.95 27.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 21.8 mtt -62.74 -53.27 56.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 m -54.04 -45.57 71.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.45 -33.06 29.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -104.07 111.94 24.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -65.33 95.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -173.16 150.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 57.8 m -107.32 119.15 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -123.42 107.42 11.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -81.46 -24.73 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -65.87 169.84 6.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.9 p -143.2 159.32 42.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.14 -48.14 8.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -169.2 150.33 4.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -170.96 128.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.9 mt -140.85 156.3 46.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.71 83.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.75 -176.26 3.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -131.19 65.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 ttt 48.67 39.65 14.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -157.24 175.79 13.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p -130.06 171.56 12.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.794 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -158.97 7.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -144.0 171.02 14.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.38 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -142.6 162.63 34.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.72 54.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.0 mmm -145.21 122.0 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.82 109.85 8.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.3 mt -117.77 127.93 75.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -170.06 124.65 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -146.85 124.99 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 14' ' ' THR . . . -177.29 -50.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 13' ' ' GLY . 70.5 p 34.66 38.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.83 0.348 . . . . 0.0 111.152 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -52.41 179.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' LYS . . . -60.1 -46.73 93.69 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.428 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' GLY . 13.7 ptpt 35.4 50.36 0.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.833 0.349 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.89 156.23 58.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.52 35.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' HA ' HD12 ' A' ' 20' ' ' LEU . 6.8 tp -145.38 175.67 10.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' O ' ' CD ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -83.12 37.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 p -140.6 141.24 35.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -110.63 -178.67 3.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.22 159.84 70.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.532 ' HA ' ' CG ' ' A' ' 28' ' ' LYS . 53.4 Cg_endo -69.74 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -38.83 -39.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -66.97 -57.22 7.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 12.1 ptpt -66.23 -16.0 63.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' HIS . 41.6 mt -74.07 -50.37 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . 7.5 m170 -34.44 -47.27 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.93 -53.05 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 40.7 mt -33.01 -50.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -63.38 -54.97 28.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.8 ttt85 -34.4 -43.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.8 mt -57.1 -58.62 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -55.56 -30.99 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.06 -52.39 61.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.9 -32.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.87 168.43 13.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.911 0.386 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.3 m -106.33 161.47 14.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.707 ' O ' HD22 ' A' ' 55' ' ' LEU . 1.7 mptp? -48.09 -45.32 32.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.78 -59.21 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -47.38 -46.83 26.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.7 t -66.97 -35.46 74.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.13 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 -63.74 -32.99 74.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.39 -51.59 11.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.555 HD11 HG21 ' A' ' 50' ' ' VAL . 22.7 pt -84.67 -32.1 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.78 45.08 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.555 HG21 HD11 ' A' ' 48' ' ' ILE . 35.4 m -133.8 148.38 68.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.593 0.711 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.9 Cg_endo -69.79 126.8 13.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' PRO . 21.6 mt-10 -37.35 -49.0 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.3 p -41.55 -48.19 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.2 m -65.05 -57.35 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD22 ' O ' ' A' ' 41' ' ' LYS . 7.0 tp -40.47 -56.58 2.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -41.97 -40.08 2.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.39 -51.56 46.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -53.2 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.1 t -55.04 -36.71 65.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -56.74 -49.04 76.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -104.0 29.59 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 65' ' ' LEU . 3.1 pp20? -59.31 -45.83 90.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.436 ' N ' ' CD ' ' A' ' 62' ' ' GLU . 6.5 t0 -37.34 -54.91 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.2 mtpp -71.92 -49.71 35.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.1 mt -40.83 -53.45 2.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 66' ' ' ARG . 9.0 mtp-105 -46.28 -36.46 6.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -95.39 -18.7 20.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 50.0 mtt -55.21 -51.78 65.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.7 p -43.58 -40.72 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 tpt85 -68.46 -46.14 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -70.48 99.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' ALA . 5.7 t -116.24 175.38 5.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' SER . . . 36.61 41.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.0 t -104.34 139.28 39.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -98.4 82.53 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -104.22 119.6 39.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 78' ' ' CYS . 5.3 tt -166.69 127.64 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.477 ' N ' HD23 ' A' ' 77' ' ' LEU . 74.6 m -148.19 149.49 32.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.28 94.49 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -145.69 171.14 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -164.01 133.8 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.82 145.98 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.0 -129.58 2.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -166.78 145.37 5.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -93.58 153.31 18.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.9 ptm -118.28 103.37 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -88.95 175.07 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -75.07 -43.05 55.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.73 101.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -147.83 145.09 28.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -124.93 161.84 25.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.56 -116.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.6 mtt 56.44 40.87 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -108.81 -43.36 4.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 92.9 mt -39.11 128.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 159.3 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.21 163.54 22.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 150.68 20.06 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.9 m -103.14 101.43 11.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.382 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.04 168.04 20.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.99 -143.61 9.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -149.04 128.75 13.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -91.17 148.08 37.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.589 0.709 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 137.8 36.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.363 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.45 157.43 32.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 52.56 44.19 30.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.2 m -157.93 159.02 36.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 23' ' ' LEU . 1.4 pt? -115.9 164.31 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.5 p -93.88 154.97 40.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.567 0.699 . . . . 0.0 111.135 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.82 10.13 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.758 ' HA ' HD12 ' A' ' 29' ' ' ILE . 12.4 ptm180 -57.56 -34.78 69.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -47.81 -38.92 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.517 ' HD2' ' CD2' ' A' ' 58' ' ' TRP . 29.0 mmtp -69.73 -48.12 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.774 ' HA ' HD12 ' A' ' 32' ' ' ILE . 19.1 mt -55.05 -48.81 75.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -41.3 -52.78 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.558 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -71.36 -47.02 58.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 29' ' ' ILE . 47.6 mt -33.52 -47.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -59.45 -58.2 9.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' GLN . 39.3 mtt85 -34.46 -51.32 0.46 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' LYS . 35.1 mt -59.61 -49.05 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.09 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -54.12 -35.95 62.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.95 -58.62 6.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -175.8 -36.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' OE1' HG22 ' A' ' 44' ' ' VAL . 14.0 mt-10 -39.96 134.89 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.8 t -66.48 136.2 55.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.8 ' HD2' HD13 ' A' ' 35' ' ' ILE . 4.2 mmmm -46.63 -33.37 4.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.58 -41.56 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -52.86 -55.86 20.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.558 HG11 ' HB1' ' A' ' 31' ' ' ALA . 63.3 t -65.15 -36.06 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.724 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -56.65 -43.51 80.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.1 mtp85 -84.57 -32.12 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.19 -41.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 50' ' ' VAL . 32.0 pt -96.07 -31.7 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.08 50.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.3 m -136.62 151.76 73.34 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.92 24.37 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.653 2.235 . . . . 0.0 112.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -42.26 -34.01 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 m -55.15 -58.16 8.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.56 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 7.0 m -55.59 -59.07 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 45' ' ' ALA . 11.8 tp -36.56 -49.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -50.52 -47.95 57.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.65 -39.62 6.08 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 54' ' ' THR . 2.1 m0 -75.18 -37.89 61.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.727 0.299 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.3 m -78.77 -7.12 57.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -94.95 -28.36 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -122.13 30.16 6.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.925 ' HA ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -42.09 -50.56 4.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 62' ' ' GLU . 29.3 t70 -34.32 -64.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -59.96 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.925 HD12 ' HA ' ' A' ' 62' ' ' GLU . 6.4 mt -42.9 -47.64 5.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -52.0 -35.26 46.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 52.6 t80 -95.33 -12.76 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 18.6 mtt -64.16 -41.41 97.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.5 p -50.98 -39.61 55.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 67' ' ' PHE . 0.0 OUTLIER -42.99 -33.33 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -127.02 156.86 40.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.4 m -139.63 127.38 21.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -174.38 173.05 3.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 35.3 m -59.0 101.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -82.47 150.45 27.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.2 p-10 -145.65 143.1 29.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.8 pt? -92.14 162.15 14.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.2 t -94.72 -59.22 1.97 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -166.96 148.72 6.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -107.19 -15.44 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.32 139.08 37.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -98.58 -46.21 5.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.31 78.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' OD1' ' C ' ' A' ' 84' ' ' ASP . 4.1 p30 -127.96 168.62 15.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -155.35 145.23 21.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.9 tpp -126.74 97.34 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 87' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -149.71 139.22 21.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.892 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -160.99 161.82 31.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 -154.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m -156.97 156.9 33.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -134.47 175.32 9.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 120.99 1.13 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mtt -126.33 172.77 9.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -93.39 113.98 26.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -135.77 162.3 37.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -144.03 134.18 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -121.1 178.12 4.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 100.89 64.89 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 14' ' ' THR . 9.7 t -115.01 107.64 15.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -165.29 142.29 5.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.03 176.5 25.87 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.28 -179.85 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.75 147.39 78.63 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 166.66 26.85 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.97 151.26 30.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -69.83 84.42 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 97.2 p -171.54 125.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.26 129.7 42.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -73.17 150.71 90.0 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.548 0.69 . . . . 0.0 111.157 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -12.52 33.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.723 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.3 tmm_? -79.31 -57.22 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 26' ' ' ARG . 33.3 t70 -37.22 -40.68 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 39.9 mttp -65.34 -46.59 79.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ARG . 40.9 mt -54.06 -54.38 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.489 ' CD2' ' CD ' ' A' ' 26' ' ' ARG . 3.6 m170 -37.44 -52.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -74.3 -50.36 19.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.7 mt -33.17 -44.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -61.62 -59.54 5.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 39' ' ' GLU . 45.8 mtp180 -36.28 -55.97 0.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.513 HD11 HD21 ' A' ' 55' ' ' LEU . 71.3 mt -46.58 -55.69 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 29.1 m-70 -59.14 -34.8 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.35 -46.18 69.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.82 -21.15 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 34' ' ' ARG . 27.7 mt-10 -65.66 119.42 11.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 t -45.12 142.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.613 ' HG2' HD23 ' A' ' 55' ' ' LEU . 16.8 ttmt -48.72 -43.54 37.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.62 90.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.1 m -54.88 -46.44 74.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 35' ' ' ILE . 92.3 t -68.64 -41.37 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -54.46 -44.98 73.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.104 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 46' ' ' ARG . 4.4 mmm180 -76.53 -28.99 56.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -47.72 -58.2 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.723 HD11 ' CG2' ' A' ' 50' ' ' VAL . 25.4 pt -75.68 -29.54 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 110.08 49.59 0.71 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.723 ' CG2' HD11 ' A' ' 48' ' ' ILE . 29.9 m -145.39 148.1 36.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.606 0.717 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.4 17.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.499 ' OE2' ' CD ' ' A' ' 41' ' ' LYS . 4.5 tm-20 -39.71 -37.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -49.37 -53.04 24.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.15 -44.96 67.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.108 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.7 tp -44.81 -47.69 10.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 39.4 mtm180 -50.37 -46.43 55.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.31 -57.41 1.42 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.54 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 10.2 m0 -55.89 -54.23 47.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.7 0.286 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -48.69 -36.12 15.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -59.97 -54.7 43.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -101.96 29.65 4.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.937 ' HA ' HD12 ' A' ' 65' ' ' LEU . 2.2 pp20? -58.52 -43.12 89.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.6 m-20 -36.03 -60.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 5.2 mtpm? -61.2 -55.58 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.937 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.4 mt -40.93 -50.95 3.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -48.76 -37.13 18.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' LYS . 55.2 t80 -95.3 -16.89 22.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.457 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 45.0 mtt -56.42 -55.3 35.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 96.6 p -41.74 -51.47 4.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -47.71 -45.45 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 72' ' ' SER . 71.4 mm-40 -65.97 77.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 71' ' ' GLN . 30.8 m 34.68 41.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 69' ' ' SER . . . -127.95 40.44 3.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 74' ' ' THR . 14.9 t -154.05 127.7 8.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.6 85.63 5.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -136.28 111.33 8.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.1 tp -88.98 -35.0 16.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' ALA . 7.1 m -62.54 161.66 11.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' CYS . . . -36.01 130.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -127.62 41.85 3.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 52.9 41.86 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.57 147.03 15.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -171.77 166.28 39.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -61.96 118.08 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.811 0.339 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -70.3 164.94 23.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ptm -68.59 82.02 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -99.77 121.33 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -173.6 176.78 2.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 105.2 0.45 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.507 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -149.68 162.17 40.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.923 0.392 . . . . 0.0 110.824 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.4 t -134.75 154.17 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -156.04 -50.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.4 tpt -36.8 129.57 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.793 0.33 . . . . 0.0 110.84 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -103.4 117.51 34.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 10' ' ' ILE . 4.7 mp -85.36 125.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -127.69 113.36 15.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.8 mmt -80.55 177.21 9.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -122.79 159.02 17.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.9 p -71.98 89.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 111.164 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -89.19 38.95 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.04 118.69 1.5 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 -31.42 3.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -47.44 144.36 4.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.579 0.705 . . . . 0.0 110.904 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 151.39 69.17 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.357 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -141.56 171.37 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 36.71 4.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -164.93 122.32 1.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.92 110.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 p -66.01 155.11 88.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.574 0.702 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -16.14 37.48 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 29' ' ' ILE . 34.9 ttt180 -73.57 -24.51 60.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.84 -31.67 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' HG2' ' CE2' ' A' ' 58' ' ' TRP . 0.1 OUTLIER -81.31 -42.45 20.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.692 ' HA ' HD12 ' A' ' 32' ' ' ILE . 67.9 mt -52.72 -48.14 49.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -38.55 -54.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -73.0 -45.65 56.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 29' ' ' ILE . 42.6 mt -33.74 -44.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -59.62 -55.86 29.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' GLN . 41.6 mtt-85 -34.62 -61.6 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mt -41.37 -56.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -51.74 -37.48 51.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.28 -46.34 86.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.97 -31.21 0.31 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -49.01 124.28 8.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' LYS . 17.0 m -59.91 130.92 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' SER . 44.5 mttp -35.34 -52.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.29 -49.89 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -50.48 -59.15 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.6 t -57.84 -48.39 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.73 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -43.5 -36.67 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -90.69 -34.37 15.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -38.45 -32.89 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 49' ' ' GLY . 48.6 pt -107.39 -32.68 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.55 53.62 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.466 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 45' ' ' ALA . 22.3 m -139.34 150.42 64.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.605 0.717 . . . . 0.0 111.153 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.3 Cg_endo -69.68 128.84 16.68 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.357 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.2 mt-10 -34.57 -39.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.4 m -50.22 -61.31 2.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.6 m -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.8 tp -43.51 -66.23 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' LEU . 28.5 mtm-85 -36.69 -54.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -37.98 -50.75 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.53 ' CE2' ' HG2' ' A' ' 28' ' ' LYS . 23.6 m0 -55.38 -68.16 0.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.931 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -45.31 -36.01 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -47.95 80.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -107.23 29.84 6.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.914 ' HA ' HD12 ' A' ' 65' ' ' LEU . 13.8 pt-20 -60.32 -31.18 70.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -42.89 -60.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' C ' ' HG3' ' A' ' 68' ' ' MET . 65.3 mttt -63.11 -54.47 37.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 62' ' ' GLU . 12.6 mt -41.04 -51.05 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -48.39 -37.06 15.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -95.3 -15.41 23.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.511 ' SD ' HD23 ' A' ' 65' ' ' LEU . 8.3 mtt -58.93 -53.06 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.5 t -47.47 -41.33 20.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -69.33 -54.53 14.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -145.87 132.45 19.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -151.46 167.89 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.72 113.46 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 85.2 m -48.65 137.61 11.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -146.67 161.18 41.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -112.85 175.4 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mp 46.65 45.97 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 20.2 p -75.57 73.63 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -165.95 131.99 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -140.75 150.07 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -102.74 160.29 14.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 tp -109.02 -59.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.06 149.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -144.98 175.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -101.17 108.95 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 mmm -102.66 98.41 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -158.35 159.07 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.823 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -91.11 -60.02 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 101.58 2.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -145.36 155.45 43.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.932 0.396 . . . . 0.0 110.816 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -138.18 147.66 44.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.64 87.48 0.31 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -126.43 42.13 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -102.82 79.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -137.94 153.84 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' H ' ' NE ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -86.67 36.04 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 14' ' ' THR . 17.2 ttp -34.81 -43.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.05 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' MET . 25.5 m -40.79 104.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 111.16 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -47.78 109.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.48 -141.21 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.0 143.67 31.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -106.0 157.74 34.08 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.595 0.712 . . . . 0.0 110.873 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 157.37 60.68 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.371 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.68 1.28 30.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -89.71 -49.29 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.6 t -75.12 114.57 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -81.38 149.23 28.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 19.4 p -91.88 148.44 37.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -15.27 37.01 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.382 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.835 ' HA ' HD12 ' A' ' 29' ' ' ILE . 55.2 ttt180 -71.73 -44.51 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' HIS . 4.2 t0 -45.32 -57.39 4.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HB2' HD22 ' A' ' 65' ' ' LEU . 53.9 mmtt -41.2 -34.52 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 26' ' ' ARG . 16.4 mt -71.83 -39.24 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' ASP . 24.1 m170 -38.05 -51.89 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.689 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -73.64 -51.8 15.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 29' ' ' ILE . 39.8 mt -33.48 -54.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' OE1' ' NH1' ' A' ' 66' ' ' ARG . 8.7 mm100 -64.51 -39.97 94.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.624 ' HG2' HG22 ' A' ' 44' ' ' VAL . 5.6 ttm180 -61.61 -32.06 72.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.82 HG12 HG21 ' A' ' 44' ' ' VAL . 89.8 mt -68.49 -42.55 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -69.82 -42.69 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -45.75 -42.48 12.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.0 -37.66 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.17 150.18 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 19.6 m -99.6 142.95 30.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -37.48 -53.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -51.57 -43.79 62.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -70.38 -51.67 28.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.82 HG21 HG12 ' A' ' 35' ' ' ILE . 94.7 t -53.38 -43.93 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -60.99 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -65.82 -21.03 66.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -51.82 -43.57 63.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.87 -20.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 106.26 42.79 1.58 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.654 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 27.7 m -128.89 146.09 59.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.604 0.716 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 139.69 40.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.647 2.231 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' SER . 40.9 mt-10 -44.0 -56.9 3.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 52' ' ' GLU . 79.4 p -37.53 -59.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.4 m -58.01 -49.4 76.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD11 HD11 ' A' ' 35' ' ' ILE . 9.7 tp -50.85 -58.92 4.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' LEU . 11.6 mmm180 -38.32 -47.7 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.5 -65.99 0.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -41.23 -66.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 t -39.58 -43.52 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -58.06 -56.31 23.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -94.78 27.54 3.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.537 ' HA ' HD12 ' A' ' 65' ' ' LEU . 20.1 pt-20 -56.35 -41.11 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -39.52 -64.86 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.847 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -59.89 -52.69 64.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 62' ' ' GLU . 9.5 mt -41.0 -54.39 2.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' NH1' ' OE1' ' A' ' 33' ' ' GLN . 10.8 mmm180 -45.22 -36.18 3.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -95.42 -19.69 19.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 18.0 mtt -54.2 -53.39 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -41.26 -44.5 2.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.7 tpt85 -45.24 -52.47 9.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -125.51 129.33 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -125.52 142.4 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -120.41 171.12 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -87.73 -15.33 37.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -99.01 125.02 44.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -128.65 171.28 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 77' ' ' LEU . 6.7 tt -131.43 88.79 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.9 p -62.54 150.75 39.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.28 138.77 51.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.873 ' HB2' HD23 ' A' ' 82' ' ' LEU . 14.5 m-20 -68.06 -9.99 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.816 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.82 46.45 14.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.873 HD23 ' HB2' ' A' ' 80' ' ' ASP . 4.2 mm? -80.87 154.61 26.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.03 3.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -153.16 159.94 42.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -130.15 151.29 50.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.0 ttp -114.49 36.35 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -80.15 174.7 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 p -123.77 169.01 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.98 175.39 39.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -165.78 105.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -125.94 151.68 46.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.99 113.98 3.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.8 mtt -146.76 108.91 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -151.12 132.84 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 10' ' ' ILE . 4.7 mp -94.72 139.45 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mtm-85 -147.57 119.17 7.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 9.0 ttm -127.47 -43.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 111.04 106.97 2.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.581 ' O ' HG23 ' A' ' 14' ' ' THR . 14.8 t -89.5 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -119.54 146.79 45.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -64.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.516 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -149.55 -176.7 5.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.79 147.42 38.18 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.617 0.723 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 158.13 58.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.3 mm? -115.54 179.88 3.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -41.96 -59.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 t -69.23 144.96 53.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 mt -83.75 178.55 7.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 p -138.59 152.2 70.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' CB ' ' HB3' ' A' ' 68' ' ' MET . 53.4 Cg_endo -69.77 -25.67 28.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.718 ' HA ' HD12 ' A' ' 29' ' ' ILE . 13.6 ttm-85 -73.45 -23.73 60.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.588 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 m-20 -68.45 -65.33 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' HD2' ' CE2' ' A' ' 58' ' ' TRP . 7.1 mtmp? -47.74 -26.5 1.6 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.6 mt -64.25 -35.98 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.35 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.705 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -88.13 -50.4 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.53 HD13 ' HG3' ' A' ' 62' ' ' GLU . 32.6 mt -33.02 -42.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 34' ' ' ARG . 22.0 mm-40 -75.23 -51.81 12.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.9 ttt85 -37.08 -37.04 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.4 mt -70.36 -55.45 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -51.18 -28.94 12.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.85 -56.01 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.8 -29.91 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.86 160.73 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.894 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.3 t -101.13 159.57 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -39.59 67.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.7 -56.48 20.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.7 p -53.64 -49.6 67.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.705 HG11 ' HB1' ' A' ' 31' ' ' ALA . 61.6 t -65.01 -29.87 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -62.95 -52.09 64.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . 10.0 mtt85 -77.42 -33.47 54.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ARG . 11.7 t70 -37.86 -54.53 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 50' ' ' VAL . 25.4 pt -84.64 -28.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.69 49.97 0.72 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 45' ' ' ALA . 35.9 m -137.91 147.59 57.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 131.37 21.19 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.67 -40.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.5 m -49.58 -54.17 19.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 20.0 m -58.79 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' THR . 12.0 tp -35.87 -57.99 0.65 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -39.87 -47.06 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.56 -46.26 12.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CE2' ' HD2' ' A' ' 28' ' ' LYS . 21.9 m0 -62.69 -64.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.3 t -44.92 -35.44 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -64.93 -52.1 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -87.45 12.2 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.53 ' HG3' HD13 ' A' ' 32' ' ' ILE . 21.9 tt0 -42.77 -42.27 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -43.41 -61.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -63.96 -51.04 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 62' ' ' GLU . 11.7 mt -42.8 -51.42 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -47.85 -35.6 10.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -95.36 -11.9 26.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.481 ' HB3' ' CB ' ' A' ' 25' ' ' PRO . 57.4 mtt -66.59 -38.55 87.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.2 t -52.95 -52.4 58.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -49.99 -52.31 34.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -87.03 175.81 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.4 t -120.01 41.33 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.76 84.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.725 ' HA ' HD11 ' A' ' 77' ' ' LEU . 13.1 t -94.48 40.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -122.01 -48.89 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.61 -24.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD13 ' H ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.91 -179.22 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.6 p -171.78 163.02 6.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.25 165.43 31.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.15 167.75 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.06 112.12 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD12 ' H ' ' A' ' 83' ' ' GLY . 6.0 tp -110.36 157.26 19.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 82' ' ' LEU . . . -149.18 58.66 0.45 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.452 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 82' ' ' LEU . 33.7 t70 -74.56 129.14 37.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 86' ' ' MET . 9.4 tmtt? -71.29 139.98 50.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 85' ' ' LYS . 16.6 ttp -35.06 -48.66 0.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -167.05 171.46 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -144.58 127.29 16.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -137.45 3.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.539 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.83 152.77 26.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -74.35 -49.29 23.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.9 172.6 45.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.443 ' SD ' ' NH1' ' A' ' 11' ' ' ARG . 18.5 tpp -124.34 116.14 22.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 10' ' ' ILE . 74.5 m-20 -127.79 171.6 11.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' C ' ' O ' ' A' ' 9' ' ' ASN . 19.4 pt 33.96 53.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.443 ' NH1' ' SD ' ' A' ' 8' ' ' MET . 22.5 mmm-85 -132.24 49.56 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 6.3 tpt -159.19 133.0 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.84 -54.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.4 p 41.84 40.23 1.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.826 0.346 . . . . 0.0 111.169 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -106.74 41.97 1.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.74 84.56 0.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -45.98 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -175.06 155.31 1.81 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.64 0.733 . . . . 0.0 110.827 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.71 19.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.1 mm? -121.53 8.64 10.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' SER . 12.2 mtt85 -91.91 30.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' ARG . 69.2 m 36.99 43.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -41.01 149.73 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.7 p -102.14 153.5 38.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.56 0.695 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -29.61 23.47 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -72.45 -35.73 68.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -49.49 -43.9 45.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' HD3' ' CD1' ' A' ' 58' ' ' TRP . 28.0 mttt -68.38 -49.03 63.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.831 ' HA ' HD12 ' A' ' 32' ' ' ILE . 82.6 mt -46.2 -25.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -71.87 -56.99 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.721 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -57.74 -11.84 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.831 HD12 ' HA ' ' A' ' 29' ' ' ILE . 36.0 mt -75.65 -51.94 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -22.71 41.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -60.29 -37.49 80.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 15.8 mt -70.38 -31.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -56.36 -29.15 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -82.79 -58.2 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.95 -36.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.462 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -39.88 114.77 0.46 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.5 m -62.26 149.73 41.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -52.45 39.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.18 -31.21 52.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.9 m -72.4 -56.48 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.721 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 22.9 t -60.05 -39.65 80.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -50.2 -48.8 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 47' ' ' ASP . 45.4 mtp180 -77.74 -38.34 47.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -36.97 -50.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 50' ' ' VAL . 49.3 pt -85.52 -32.65 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' N ' HG13 ' A' ' 48' ' ' ILE . . . 111.56 54.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -144.18 151.12 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.7 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' GLU . 53.6 Cg_endo -69.74 126.06 12.88 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' PRO . 5.9 tt0 -34.82 -42.87 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 30.7 t -46.16 -49.48 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.461 HG22 ' CZ2' ' A' ' 58' ' ' TRP . 85.6 m -63.36 -55.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.182 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 tp -41.41 -62.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -39.4 -46.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.44 -59.78 6.85 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HD3' ' A' ' 28' ' ' LYS . 16.1 m0 -47.28 -68.08 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -45.39 -46.3 13.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -52.23 -46.85 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -104.37 30.91 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.866 ' HA ' HD12 ' A' ' 65' ' ' LEU . 48.9 tt0 -46.83 -48.28 20.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.816 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -37.4 -66.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' C ' ' HG3' ' A' ' 68' ' ' MET . 33.2 mmtt -50.93 -59.2 4.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 62' ' ' GLU . 7.6 mt -41.66 -53.73 3.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -45.95 -36.42 5.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.407 ' CE1' ' HG3' ' A' ' 71' ' ' GLN . 62.7 t80 -95.37 -16.48 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 31.2 mtp -58.9 -52.93 63.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.1 t -57.79 -49.42 76.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -44.55 -39.78 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.407 ' HG3' ' CE1' ' A' ' 67' ' ' PHE . 5.5 mt-30 -92.7 109.32 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.8 t -65.22 90.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.81 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.05 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -101.84 39.15 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -68.97 -49.14 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.17 131.71 50.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.2 tp -89.79 42.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.3 m -111.69 -42.26 3.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 171.49 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.083 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -89.75 89.22 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -172.99 152.87 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mp -89.29 -51.56 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.66 179.03 52.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -120.17 96.6 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -88.03 82.25 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 41.79 40.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.91 159.32 9.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 m -150.37 155.32 39.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.76 139.73 4.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.542 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -149.29 134.04 17.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.901 0.381 . . . . 0.0 110.837 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -169.29 148.69 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.03 69.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -95.26 42.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -121.25 -42.59 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 10' ' ' ILE . 3.7 mp -45.14 125.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -125.99 177.07 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 167.11 10.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 170.97 44.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.1 p -47.57 106.99 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 111.129 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -166.14 170.19 13.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.71 73.41 1.04 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -54.49 -60.19 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 145.36 48.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.6 62.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -103.49 127.61 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.5 ptp85 -47.01 -31.05 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.8 t -79.74 129.35 34.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 23' ' ' LEU . 2.6 pt? -123.79 160.68 26.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.0 p -79.25 155.45 76.89 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -35.42 12.88 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -61.45 -31.09 71.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -53.13 -36.0 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -82.27 -53.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 ' HA ' HD12 ' A' ' 32' ' ' ILE . 94.5 mt -40.28 -32.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -59.85 -47.57 85.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -65.97 -43.15 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 31' ' ' ALA . 25.9 mt -33.9 -48.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 34' ' ' ARG . 13.6 mm-40 -63.11 -49.32 74.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' GLN . 2.7 mmp_? -34.66 -38.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.431 HG13 HG11 ' A' ' 44' ' ' VAL . 33.5 mt -67.78 -52.7 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 33' ' ' GLN . 82.0 m-70 -61.11 -42.53 98.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -44.28 -49.87 9.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.74 -25.87 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -61.43 144.33 54.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 41' ' ' LYS . 46.9 m -71.11 133.23 46.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 40' ' ' SER . 7.4 ttmm -34.32 -52.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.48 63.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 m -54.02 -50.3 66.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.431 HG11 HG13 ' A' ' 35' ' ' ILE . 88.0 t -59.39 -40.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -64.78 -47.22 78.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.7 ttt85 -74.43 -12.62 60.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -53.45 -55.98 20.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.63 -26.81 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 114.7 39.16 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.4 m -126.49 147.26 59.65 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.638 0.733 . . . . 0.0 111.119 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' SER . 54.2 Cg_endo -69.73 130.33 19.19 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -39.48 -28.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 51' ' ' PRO . 10.1 m -57.48 -61.61 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.832 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 48.5 m -59.22 -45.02 92.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.753 HD22 ' HB2' ' A' ' 45' ' ' ALA . 13.7 tp -41.42 -56.34 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 57' ' ' GLY . 36.8 mtm180 -48.53 -46.89 39.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ARG . . . -36.76 -43.09 0.78 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -67.91 -65.65 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.746 0.308 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.0 t -40.23 -41.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.2 -56.04 10.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -94.43 26.58 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 65' ' ' LEU . 19.4 tp10 -49.44 -35.8 20.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.11 -60.34 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -64.81 -46.13 83.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 68' ' ' MET . 7.9 mt -44.29 -44.71 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -54.28 -37.12 64.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CE2' ' HB2' ' A' ' 71' ' ' GLN . 77.8 t80 -95.24 -14.51 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.817 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 39.1 mtt -56.42 -56.04 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 p -58.89 -42.74 90.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -59.26 -46.54 88.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.473 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 71.3 tp60 -63.62 84.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -99.7 86.19 3.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.61 -60.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.3 m -113.08 105.82 13.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.0 160.27 27.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 41.5 t30 60.87 29.47 19.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' H ' HD23 ' A' ' 77' ' ' LEU . 1.4 pt? -60.31 147.04 41.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 28.3 p -174.34 126.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 42.56 43.9 3.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.44 171.36 7.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.33 128.82 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.811 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -114.95 133.22 56.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' HD12 ' A' ' 82' ' ' LEU . . . 129.94 83.49 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -122.71 37.69 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -73.67 99.75 3.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 14.6 tpt -67.52 -56.57 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 t -165.44 153.11 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p -158.27 171.93 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.54 -45.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -46.04 113.65 0.65 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -111.6 137.26 49.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.58 132.36 11.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -68.97 114.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -129.24 82.18 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.8 pt -137.66 173.23 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -114.85 121.15 42.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.7 mmt -118.7 171.21 8.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.53 127.11 4.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.8 m -139.52 106.71 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.175 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' CG ' ' HE2' ' A' ' 17' ' ' LYS . 8.5 ttpp 50.33 35.37 10.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -42.68 -60.55 2.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HE2' ' CG ' ' A' ' 15' ' ' LYS . 47.4 mttm 51.95 54.48 10.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -47.32 143.91 4.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.545 0.688 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 173.0 11.61 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.817 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.2 pt? -116.74 -177.06 3.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.05 -58.46 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.1 m -79.12 113.45 17.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.3 mp -48.69 167.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -119.41 151.43 51.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.626 0.727 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -18.61 36.98 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 26' ' ' ARG . 9.8 ttp-105 -79.72 -28.83 40.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -52.64 -46.81 67.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' CD1' ' A' ' 58' ' ' TRP . 0.3 OUTLIER -60.85 -58.88 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' O ' ' A' ' 65' ' ' LEU . 84.8 mt -37.79 -40.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -56.34 -56.08 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 32' ' ' ILE . . . -63.49 -43.94 95.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 31' ' ' ALA . 11.8 mt -33.75 -47.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' ARG . 1.2 mp0 -56.76 -52.0 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' GLN . 83.1 mtt-85 -34.38 -48.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 ' NZ ' ' A' ' 41' ' ' LYS . 77.8 mt -59.5 -51.06 77.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -60.21 -36.44 77.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -56.79 -52.82 63.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.5 -33.05 0.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -56.59 164.45 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.6 p -107.48 148.71 28.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB3' HD23 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -39.35 -48.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . . . -54.81 -55.99 24.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.6 m -52.37 -56.34 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -54.83 -47.88 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -50.55 -48.51 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -65.77 -35.91 82.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -38.31 -52.06 1.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.0 -32.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 112.5 50.29 0.57 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.794 ' O ' ' HB1' ' A' ' 45' ' ' ALA . 35.8 m -134.06 149.32 71.24 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.657 0.741 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.97 36.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 42' ' ' ALA . 16.9 mt-10 -46.51 -30.51 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.7 m -56.05 -51.88 66.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.0 m -65.81 -52.85 47.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 41' ' ' LYS . 5.9 tp -42.66 -55.88 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -45.94 -49.38 15.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -39.15 -53.47 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.565 ' CD1' ' HG2' ' A' ' 28' ' ' LYS . 14.4 m0 -54.34 -58.24 8.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.738 0.304 . . . . 0.0 110.886 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.87 -39.47 53.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -51.67 -44.26 62.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -103.61 22.94 13.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.625 ' HA ' HD12 ' A' ' 65' ' ' LEU . 18.0 tt0 -39.07 -55.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -41.89 -64.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' C ' ' HG3' ' A' ' 68' ' ' MET . 2.1 mmmp? -51.38 -59.91 3.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 62' ' ' GLU . 8.5 mt -40.64 -52.14 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -49.3 -36.54 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LYS . 56.2 t80 -95.24 -15.42 23.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.423 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 9.8 mtt -59.34 -67.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -47.6 -45.68 27.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -51.15 -50.93 57.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -42.06 85.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.3 t -113.08 95.53 5.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.33 169.27 8.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.0 137.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -143.08 137.53 29.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -139.08 144.71 38.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 77' ' ' LEU . 1.2 tm? -145.27 106.52 4.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.4 m -104.57 166.8 10.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.8 121.91 30.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.25 171.35 14.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.49 82.9 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.3 mt -71.81 -46.74 57.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.89 126.37 21.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -154.79 176.15 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -172.7 142.18 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 87' ' ' ASP . 2.5 ptt? -82.22 -43.25 17.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 86' ' ' MET . 2.6 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -71.02 176.79 4.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.864 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -127.93 -61.99 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.64 169.08 41.96 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 m -84.11 174.3 10.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -140.15 121.07 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.5 112.08 2.09 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.1 mmm -67.53 -46.22 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' ILE . 49.0 m-80 -125.27 -58.25 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.665 HG22 ' O ' ' A' ' 10' ' ' ILE . 12.2 mm 35.61 48.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -111.86 92.65 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 31.1 tpp -101.28 143.93 30.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.82 108.95 0.24 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 m -130.1 98.8 4.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -82.96 170.03 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.58 -127.76 6.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -149.79 175.65 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.741 0.305 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -138.62 150.18 65.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 179.0 4.05 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.688 2.259 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' C ' HD12 ' A' ' 20' ' ' LEU . 2.3 pp -46.54 157.55 0.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 22' ' ' SER . 1.7 tpp85 -169.33 122.63 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' ARG . 58.9 p -35.6 136.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -62.75 -176.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.2 p -126.51 150.0 69.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -27.69 26.12 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -72.54 -39.75 67.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -48.99 -33.85 11.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 58' ' ' TRP . 12.6 mtmt -72.44 -53.78 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 32' ' ' ILE . 83.0 mt -45.02 -29.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -53.43 -62.14 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.533 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -63.1 -47.85 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 29' ' ' ILE . 33.6 mt -33.72 -49.76 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 34' ' ' ARG . 11.0 tp60 -69.64 -52.54 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' HD2' HG22 ' A' ' 44' ' ' VAL . 3.2 ttm-85 -37.21 -32.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG1' HG21 ' A' ' 44' ' ' VAL . 19.1 mt -71.31 -58.33 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -59.13 -30.11 67.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' A' ' 37' ' ' ASP . 30.1 t0 -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.65 -24.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -64.28 166.38 8.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.924 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' LYS . 85.7 p -98.65 136.68 38.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' SER . 26.6 mttp -35.33 -43.06 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t -46.04 -48.52 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 57.4 t -57.1 -40.12 71.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 50' ' ' VAL . . . -59.68 -56.04 26.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 -59.61 -46.15 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -40.57 -48.16 2.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 ' CG2' ' A' ' 50' ' ' VAL . 44.0 pt -87.86 -24.83 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.47 56.27 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.822 ' CG2' HD11 ' A' ' 48' ' ' ILE . 22.5 m -145.96 149.15 38.18 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.74 . . . . 0.0 111.132 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' GLU . 54.1 Cg_endo -69.7 128.04 15.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.362 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' PRO . 31.7 mt-10 -36.44 -45.18 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -45.4 -62.23 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.5 m -57.33 -51.57 68.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.161 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 HD22 ' HB2' ' A' ' 45' ' ' ALA . 12.4 tp -41.98 -64.12 0.63 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -38.47 -46.69 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -40.35 -65.78 0.92 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 33.9 m0 -40.76 -61.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.714 0.292 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 68.3 m -38.3 -39.19 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.9 ttpt -60.99 -57.93 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 59.6 m-80 -82.13 7.87 12.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.754 ' HA ' HD12 ' A' ' 65' ' ' LEU . 23.3 tt0 -42.23 -41.26 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -43.76 -61.12 1.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' C ' ' HG3' ' A' ' 68' ' ' MET . 18.6 mtpp -65.53 -50.55 64.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 62' ' ' GLU . 15.5 mt -41.01 -50.41 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 52.4 mtp180 -48.99 -37.23 19.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -95.3 -16.6 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.479 ' SD ' HD23 ' A' ' 65' ' ' LEU . 47.8 mtt -56.49 -40.87 75.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 73' ' ' ALA . 26.8 m -79.84 -42.27 24.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -51.19 -46.39 62.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -69.06 -55.79 9.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 50.5 m -81.44 46.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 69' ' ' SER . . . -112.16 -60.16 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -116.11 135.83 53.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -64.67 142.93 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -135.51 120.7 18.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.77 44.92 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.6 m -150.22 116.39 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -162.04 108.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.29 149.12 52.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 34.33 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.2 mp -110.12 140.87 43.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -113.69 -45.88 0.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -99.8 105.91 17.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -81.7 135.86 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -46.39 13.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -155.72 168.25 27.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.02 173.23 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.2 -152.92 5.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -161.02 155.49 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.821 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -156.54 174.09 15.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.69 121.88 6.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.535 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' ASN . 3.7 ptt? -71.49 -41.21 69.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' MET . 10.2 t30 -171.51 167.75 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.48 136.32 59.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' NH2' HG22 ' A' ' 14' ' ' THR . 17.3 tpt180 -110.39 140.73 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.828 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.05 -59.58 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.75 153.85 6.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.524 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 14' ' ' THR . 8.0 t -123.01 106.64 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.894 0.378 . . . . 0.0 111.154 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 152.21 21.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -176.28 -50.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.64 175.72 6.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -142.03 143.98 30.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.647 0.737 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -173.55 0.74 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -113.17 165.73 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 58.9 41.5 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.4 p -80.92 163.53 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.72 176.13 5.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 p -113.46 155.97 43.99 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.615 0.721 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.798 ' HA ' HD12 ' A' ' 29' ' ' ILE . 3.3 tmt_? -47.44 -40.65 18.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 5.1 t70 -67.2 -59.84 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -52.6 -23.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.798 HD12 ' HA ' ' A' ' 26' ' ' ARG . 54.2 mt -68.65 -32.16 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -37.39 -28.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.792 ' HB1' ' CG1' ' A' ' 44' ' ' VAL . . . -92.09 -49.57 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.492 HD12 HG12 ' A' ' 29' ' ' ILE . 33.9 mt -33.56 -42.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ARG . 5.0 tp-100 -61.34 -60.78 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' GLN . 62.4 mtt-85 -34.98 -45.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -56.44 -48.9 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 33' ' ' GLN . 7.6 m-70 -65.54 -38.68 90.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.04 -50.72 72.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 176.39 -36.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.464 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -52.37 163.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.1 m -107.83 158.46 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.823 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -43.13 61.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.923 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.8 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.7 m -55.78 -50.01 71.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.817 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.792 ' CG1' ' HB1' ' A' ' 31' ' ' ALA . 97.1 t -58.47 -64.11 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 55' ' ' LEU . . . -39.03 -59.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -62.23 -37.41 85.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -37.43 -60.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.5 pt -77.18 -27.11 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 109.29 49.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.545 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 45' ' ' ALA . 28.6 m -135.15 147.93 64.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.63 0.729 . . . . 0.0 111.134 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 129.61 17.93 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -37.67 -48.56 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.3 m -41.49 -56.54 2.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LEU . 92.0 m -59.04 -62.23 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 45' ' ' ALA . 6.1 tp -36.25 -63.21 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' LEU . 14.4 mmt180 -34.86 -43.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.64 -48.74 5.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -68.88 -64.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -39.16 -51.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -48.56 -59.0 3.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -88.18 19.82 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.646 ' HA ' HD12 ' A' ' 65' ' ' LEU . 30.5 tt0 -49.0 -44.38 41.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.7 m-20 -34.79 -65.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' C ' ' HG3' ' A' ' 68' ' ' MET . 3.7 mptt -63.35 -50.54 69.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 62' ' ' GLU . 13.4 mt -42.65 -40.87 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -57.98 -37.99 75.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -95.3 -11.93 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.432 ' HG3' ' C ' ' A' ' 64' ' ' LYS . 37.9 mtt -61.38 -42.48 98.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.0 p -47.24 -43.08 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -45.26 -46.45 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -44.23 148.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.6 t -43.13 97.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.55 -60.18 2.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.7 m 55.88 44.02 26.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -117.39 105.37 12.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -56.54 131.37 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -143.41 170.99 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.5 p -140.25 154.34 46.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.66 124.19 45.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.59 41.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.44 100.6 7.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.19 140.2 52.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -119.1 162.83 13.43 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -160.9 176.2 11.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 86' ' ' MET . 0.2 OUTLIER -130.6 149.88 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.454 ' N ' ' HD3' ' A' ' 85' ' ' LYS . 1.5 tpt -39.31 -54.42 1.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.951 . . . . . . . . 0 0 . 1 stop_ save_